CID 1513062

16109-46-9

Structural Information

Molecular Formula
C16H14N2O
SMILES
CC1=CC2=C(C=C1C)N(C=N2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2O/c1-11-8-14-15(9-12(11)2)18(10-17-14)16(19)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKey
DHAQHTRQAPZNJW-UHFFFAOYSA-N
Compound name
(5,6-dimethylbenzimidazol-1-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.11061 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.117886 156.7
[M+Na]+ 273.099828 167.7
[M-H]- 249.103334 162.8
[M+NH4]+ 268.144433 174.4
[M+K]+ 289.073768 162.6
[M+H-H2O]+ 233.107870 148.4
[M+HCOO]- 295.108811 179.2
[M+CH3COO]- 309.124461 170.0
[M+Na-2H]- 271.085276 161.6
[M]+ 250.11006142 159.7
[M]- 250.11115858 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.