PubChemLite - Bms-833923 (C30H27N5O)

Structural Information

Molecular Formula

SMILES

CC1=C(C=C(C=C1)CNC)NC(=O)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C30H27N5O/c1-20-12-13-21(19-31-2)18-27(20)33-29(36)23-14-16-24(17-15-23)32-30-34-26-11-7-6-10-25(26)28(35-30)22-8-4-3-5-9-22/h3-18,31H,19H2,1-2H3,(H,33,36)(H,32,34,35)

InChIKey

KLRRGBHZCJLIEL-UHFFFAOYSA-N

Compound name

N-[2-methyl-5-(methylaminomethyl)phenyl]-4-[(4-phenylquinazolin-2-yl)amino]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]+	474.22884	216.5
[M+Na]+	496.21078	221.2
[M-H]-	472.21428	226.5
[M+NH4]+	491.25538	220.5
[M+K]+	512.18472	212.7
[M+H-H2O]+	456.21882	202.2
[M+HCOO]-	518.21976	236.5
[M+CH3COO]-	532.23541	222.9
[M+Na-2H]-	494.19623	221.6
[M]+	473.22101	214.9
[M]-	473.22211	214.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

474.22884

216.5

[M+Na]+

496.21078

221.2

[M-H]-

472.21428

226.5

[M+NH4]+

491.25538

220.5

[M+K]+

512.18472

212.7

[M+H-H2O]+

456.21882

202.2

[M+HCOO]-

518.21976

236.5

[M+CH3COO]-

532.23541

222.9

[M+Na-2H]-

494.19623

221.6

[M]+

473.22101

214.9

[M]-

473.22211

214.9

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

Bms-833923

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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