CID 12250938

58112-93-9

Structural Information

Molecular Formula
C16H14N2O
SMILES
CN1C2=CC=CC=C2N=C1CC(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)17-16(18)11-15(19)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKey
DYLCLDYOAHTSPW-UHFFFAOYSA-N
Compound name
2-(1-methylbenzimidazol-2-yl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.11061 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11789 156.5
[M+Na]+ 273.09983 166.5
[M-H]- 249.10333 162.2
[M+NH4]+ 268.14443 173.8
[M+K]+ 289.07377 161.3
[M+H-H2O]+ 233.10787 147.8
[M+HCOO]- 295.10881 179.0
[M+CH3COO]- 309.12446 169.3
[M+Na-2H]- 271.08528 162.1
[M]+ 250.11006 159.1
[M]- 250.11116 159.1
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

patents stripe