CID 3061798

79759-72-1

Structural Information

Molecular Formula
C15H13ClN2O
SMILES
CC1=CC=CC=C1N2C3=C(C=CC(=C3)Cl)N(C2=O)C
InChI
InChI=1S/C15H13ClN2O/c1-10-5-3-4-6-12(10)18-14-9-11(16)7-8-13(14)17(2)15(18)19/h3-9H,1-2H3
InChIKey
UBYQHVKODFBEJP-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-3-(2-methylphenyl)benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.07166 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.078936 159.5
[M+Na]+ 295.060878 173.7
[M-H]- 271.064384 166.0
[M+NH4]+ 290.105483 177.8
[M+K]+ 311.034818 166.7
[M+H-H2O]+ 255.068920 151.8
[M+HCOO]- 317.069861 178.5
[M+CH3COO]- 331.085511 173.4
[M+Na-2H]- 293.046326 163.9
[M]+ 272.07111142 165.7
[M]- 272.07220858 165.7
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.