CID 3021484

2h-benzimidazol-2-one, 1,3-dihydro-5-chloro-1-methyl-3-(6-methyl-2-pyridinyl)-

Structural Information

Molecular Formula
C14H12ClN3O
SMILES
CC1=NC(=CC=C1)N2C3=C(C=CC(=C3)Cl)N(C2=O)C
InChI
InChI=1S/C14H12ClN3O/c1-9-4-3-5-13(16-9)18-12-8-10(15)6-7-11(12)17(2)14(18)19/h3-8H,1-2H3
InChIKey
HNEUWHGLWGYYIM-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-3-(6-methylpyridin-2-yl)benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0669 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07418 159.8
[M+Na]+ 296.05612 174.3
[M-H]- 272.05962 164.9
[M+NH4]+ 291.10072 176.5
[M+K]+ 312.03006 167.4
[M+H-H2O]+ 256.06416 151.2
[M+HCOO]- 318.06510 177.6
[M+CH3COO]- 332.08075 173.2
[M+Na-2H]- 294.04157 164.5
[M]+ 273.06635 165.9
[M]- 273.06745 165.9
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.