PubChemLite - Benzamide, n-cyclopentyl-4-[5-(4-trifluoromethylbenzoyl)-1,10b-dihydro-5h-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]- (C30H26F3N3O3)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)NC(=O)C2=CC=C(C=C2)C3=NN4C(C3)C5=CC=CC=C5OC4C(=O)C6=CC=C(C=C6)C(F)(F)F

InChI

InChI=1S/C30H26F3N3O3/c31-30(32,33)21-15-13-19(14-16-21)27(37)29-36-25(23-7-3-4-8-26(23)39-29)17-24(35-36)18-9-11-20(12-10-18)28(38)34-22-5-1-2-6-22/h3-4,7-16,22,25,29H,1-2,5-6,17H2,(H,34,38)

InChIKey

QQGLNTORMCWNCP-UHFFFAOYSA-N

Compound name

N-cyclopentyl-4-[5-[4-(trifluoromethyl)benzoyl]-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]benzamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	534.19988	224.6
[M+Na]+	556.18182	228.4
[M-H]-	532.18532	232.6
[M+NH4]+	551.22642	229.8
[M+K]+	572.15576	222.3
[M+H-H2O]+	516.18986	211.7
[M+HCOO]-	578.19080	232.6
[M+CH3COO]-	592.20645	229.6
[M+Na-2H]-	554.16727	219.5
[M]+	533.19205	218.5
[M]-	533.19315	218.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

534.19988

224.6

[M+Na]+

556.18182

228.4

[M-H]-

532.18532

232.6

[M+NH4]+

551.22642

229.8

[M+K]+

572.15576

222.3

[M+H-H2O]+

516.18986

211.7

[M+HCOO]-

578.19080

232.6

[M+CH3COO]-

592.20645

229.6

[M+Na-2H]-

554.16727

219.5

[M]+

533.19205

218.5

[M]-

533.19315

218.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Benzamide, n-cyclopentyl-4-[5-(4-trifluoromethylbenzoyl)-1,10b-dihydro-5h-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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