CID 63258

65925-16-8

Structural Information

Molecular Formula
C24H20N4O
SMILES
CC1=CC2=C(C=C1C)N=C(N2)CN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C24H20N4O/c1-15-12-20-21(13-16(15)2)26-22(25-20)14-28-23(17-8-4-3-5-9-17)27-19-11-7-6-10-18(19)24(28)29/h3-13H,14H2,1-2H3,(H,25,26)
InChIKey
MWZOCBFOVYJHJM-UHFFFAOYSA-N
Compound name
3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1637 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.17098 196.7
[M+Na]+ 403.15292 208.6
[M-H]- 379.15642 202.9
[M+NH4]+ 398.19752 206.0
[M+K]+ 419.12686 198.5
[M+H-H2O]+ 363.16096 184.5
[M+HCOO]- 425.16190 213.3
[M+CH3COO]- 439.17755 206.0
[M+Na-2H]- 401.13837 200.0
[M]+ 380.16315 198.9
[M]- 380.16425 198.9
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.