PubChemLite - Benzamide, n-(cyclohexylmethyl)-4-[5-(4-fluorobenzoyl)-1,10b-dihydro-5h-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]- (C31H30FN3O3)

Structural Information

Molecular Formula

SMILES

C1CCC(CC1)CNC(=O)C2=CC=C(C=C2)C3=NN4C(C3)C5=CC=CC=C5OC4C(=O)C6=CC=C(C=C6)F

InChI

InChI=1S/C31H30FN3O3/c32-24-16-14-22(15-17-24)29(36)31-35-27(25-8-4-5-9-28(25)38-31)18-26(34-35)21-10-12-23(13-11-21)30(37)33-19-20-6-2-1-3-7-20/h4-5,8-17,20,27,31H,1-3,6-7,18-19H2,(H,33,37)

InChIKey

CUSFGAGMOASXAD-UHFFFAOYSA-N

Compound name

N-(cyclohexylmethyl)-4-[5-(4-fluorobenzoyl)-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]+	512.23438	223.2
[M+Na]+	534.21632	225.1
[M-H]-	510.21982	232.1
[M+NH4]+	529.26092	226.8
[M+K]+	550.19026	218.7
[M+H-H2O]+	494.22436	209.0
[M+HCOO]-	556.22530	231.8
[M+CH3COO]-	570.24095	227.6
[M+Na-2H]-	532.20177	219.3
[M]+	511.22655	216.8
[M]-	511.22765	216.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

512.23438

223.2

[M+Na]+

534.21632

225.1

[M-H]-

510.21982

232.1

[M+NH4]+

529.26092

226.8

[M+K]+

550.19026

218.7

[M+H-H2O]+

494.22436

209.0

[M+HCOO]-

556.22530

231.8

[M+CH3COO]-

570.24095

227.6

[M+Na-2H]-

532.20177

219.3

[M]+

511.22655

216.8

[M]-

511.22765

216.8

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

Benzamide, n-(cyclohexylmethyl)-4-[5-(4-fluorobenzoyl)-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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