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-methyl-2-pyridinyl)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]+ 274.074176 159.8
[M+Na]+ 296.056118 174.3
[M-H]- 272.059624 164.9
[M+NH4]+ 291.100723 176.5
[M+K]+ 312.030058 167.4
[M+H-H2O]+ 256.064160 151.2
[M+HCOO]- 318.065101 177.6
[M+CH3COO]- 332.080751 173.2
[M+Na-2H]- 294.041566 164.5
[M]+ 273.06635142 165.9
[M]- 273.06744858 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.