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]+ 367.15535 189.4
[M+Na]+ 389.13729 208.7
[M+NH4]+ 384.18189 197.3
[M+K]+ 405.11123 200.0
[M-H]- 365.14079 195.3
[M+Na-2H]- 387.12274 200.2
[M]+ 366.14752 194.1
[M]- 366.14862 194.1
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.