CID 387168

Nsc680682

Structural Information

Molecular Formula
C17H14N4O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C17H14N4O/c1-11-18-13-7-3-2-6-12(13)17(22)21(11)10-16-19-14-8-4-5-9-15(14)20-16/h2-9H,10H2,1H3,(H,19,20)
InChIKey
ZKQAUDXHFYQVHU-UHFFFAOYSA-N
Compound name
3-(1H-benzimidazol-2-ylmethyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.11676 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.124036 168.5
[M+Na]+ 313.105978 180.9
[M-H]- 289.109484 171.7
[M+NH4]+ 308.150583 182.0
[M+K]+ 329.079918 172.9
[M+H-H2O]+ 273.114020 158.3
[M+HCOO]- 335.114961 186.8
[M+CH3COO]- 349.130611 179.8
[M+Na-2H]- 311.091426 175.2
[M]+ 290.11621142 170.7
[M]- 290.11730858 170.7
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.