CID 63804

Brn 0939025

Structural Information

Molecular Formula
C23H18N4O
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CCC4=NC5=CC=CC=C5N4
InChI
InChI=1S/C23H18N4O/c28-23-17-10-4-5-11-18(17)26-22(16-8-2-1-3-9-16)27(23)15-14-21-24-19-12-6-7-13-20(19)25-21/h1-13H,14-15H2,(H,24,25)
InChIKey
CPFAEEPPFSIUBM-UHFFFAOYSA-N
Compound name
3-[2-(1H-benzimidazol-2-yl)ethyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.14807 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.155346 189.5
[M+Na]+ 389.137288 200.1
[M-H]- 365.140794 195.1
[M+NH4]+ 384.181893 198.9
[M+K]+ 405.111228 190.2
[M+H-H2O]+ 349.145330 177.1
[M+HCOO]- 411.146271 206.6
[M+CH3COO]- 425.161921 198.7
[M+Na-2H]- 387.122736 195.1
[M]+ 366.14752142 190.6
[M]- 366.14861858 190.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.