PubChemLite - Benzamide, n-cyclohexyl-4-[5-(4-fluorobenzoyl)-1,10b-dihydro-5h-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]- (C30H28FN3O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H28FN3O3/c31-22-16-14-20(15-17-22)28(35)30-34-26(24-8-4-5-9-27(24)37-30)18-25(33-34)19-10-12-21(13-11-19)29(36)32-23-6-2-1-3-7-23/h4-5,8-17,23,26,30H,1-3,6-7,18H2,(H,32,36)

InChIKey

UHVKSNAFCPOKOC-UHFFFAOYSA-N

Compound name

N-cyclohexyl-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]+	498.21874	219.0
[M+Na]+	520.20068	221.3
[M-H]-	496.20418	228.1
[M+NH4]+	515.24528	223.2
[M+K]+	536.17462	215.1
[M+H-H2O]+	480.20872	205.0
[M+HCOO]-	542.20966	228.0
[M+CH3COO]-	556.22531	223.8
[M+Na-2H]-	518.18613	215.6
[M]+	497.21091	212.4
[M]-	497.21201	212.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

498.21874

219.0

[M+Na]+

520.20068

221.3

[M-H]-

496.20418

228.1

[M+NH4]+

515.24528

223.2

[M+K]+

536.17462

215.1

[M+H-H2O]+

480.20872

205.0

[M+HCOO]-

542.20966

228.0

[M+CH3COO]-

556.22531

223.8

[M+Na-2H]-

518.18613

215.6

[M]+

497.21091

212.4

[M]-

497.21201

212.4

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

Benzamide, n-cyclohexyl-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

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