CID 368225

Chembl171730

Structural Information

Molecular Formula
C10H10ClN3O
SMILES
CC1=NC2=C(N1)C=C(C=C2NC(=O)C)Cl
InChI
InChI=1S/C10H10ClN3O/c1-5-12-8-3-7(11)4-9(10(8)13-5)14-6(2)15/h3-4H,1-2H3,(H,12,13)(H,14,15)
InChIKey
GZONQVYVJJXHMO-UHFFFAOYSA-N
Compound name
N-(6-chloro-2-methyl-1H-benzimidazol-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

223.05124 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05852 146.3
[M+Na]+ 246.04046 158.0
[M-H]- 222.04396 147.9
[M+NH4]+ 241.08506 165.4
[M+K]+ 262.01440 152.4
[M+H-H2O]+ 206.04850 140.2
[M+HCOO]- 268.04944 164.3
[M+CH3COO]- 282.06509 187.8
[M+Na-2H]- 244.02591 151.6
[M]+ 223.05069 149.2
[M]- 223.05179 149.2
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.