PubChemLite - 91045-27-1 (C32H26BrN5O2)

Structural Information

Molecular Formula

SMILES

C1COCCN1CN2C3=CC=CC=C3N=C2C4=CC=CC=C4N5C(=NC6=C(C5=O)C=C(C=C6)Br)C7=CC=CC=C7

InChI

InChI=1S/C32H26BrN5O2/c33-23-14-15-26-25(20-23)32(39)38(30(34-26)22-8-2-1-3-9-22)28-12-6-4-10-24(28)31-35-27-11-5-7-13-29(27)37(31)21-36-16-18-40-19-17-36/h1-15,20H,16-19,21H2

InChIKey

NPQLGFVBOCCHPD-UHFFFAOYSA-N

Compound name

6-bromo-3-[2-[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-phenylquinazolin-4-one

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]+	592.13428	239.6
[M+Na]+	614.11622	248.8
[M-H]-	590.11972	252.1
[M+NH4]+	609.16082	241.0
[M+K]+	630.09016	235.6
[M+H-H2O]+	574.12426	231.7
[M+HCOO]-	636.12520	248.2
[M+CH3COO]-	650.14085	245.9
[M+Na-2H]-	612.10167	239.4
[M]+	591.12645	256.1
[M]-	591.12755	256.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

592.13428

239.6

[M+Na]+

614.11622

248.8

[M-H]-

590.11972

252.1

[M+NH4]+

609.16082

241.0

[M+K]+

630.09016

235.6

[M+H-H2O]+

574.12426

231.7

[M+HCOO]-

636.12520

248.2

[M+CH3COO]-

650.14085

245.9

[M+Na-2H]-

612.10167

239.4

[M]+

591.12645

256.1

[M]-

591.12755

256.1

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

91045-27-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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