CID 3021485

Brn 5057968

Structural Information

Molecular Formula
C13H10ClN3O
SMILES
CN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CN=CC=C3
InChI
InChI=1S/C13H10ClN3O/c1-16-11-5-4-9(14)7-12(11)17(13(16)18)10-3-2-6-15-8-10/h2-8H,1H3
InChIKey
NVHDCNQLULRMAU-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-3-pyridin-3-ylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.05124 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05852 154.0
[M+Na]+ 282.04046 172.3
[M+NH4]+ 277.08506 162.8
[M+K]+ 298.01440 165.4
[M-H]- 258.04396 157.6
[M+Na-2H]- 280.02591 163.5
[M]+ 259.05069 158.1
[M]- 259.05179 158.1
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.