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]+ 291.12404 168.5
[M+Na]+ 313.10598 180.9
[M-H]- 289.10948 171.7
[M+NH4]+ 308.15058 182.0
[M+K]+ 329.07992 172.9
[M+H-H2O]+ 273.11402 158.3
[M+HCOO]- 335.11496 186.8
[M+CH3COO]- 349.13061 179.8
[M+Na-2H]- 311.09143 175.2
[M]+ 290.11621 170.7
[M]- 290.11731 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.