CID 3025503

Acetamide, 2-chloro-n-((6-nitro-1h-benzimidazol-1-yl)methyl)-

Structural Information

Molecular Formula
C10H9ClN4O3
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])N(C=N2)CNC(=O)CCl
InChI
InChI=1S/C10H9ClN4O3/c11-4-10(16)13-6-14-5-12-8-2-1-7(15(17)18)3-9(8)14/h1-3,5H,4,6H2,(H,13,16)
InChIKey
NKILYJJPIKQDBL-UHFFFAOYSA-N
Compound name
2-chloro-N-[(6-nitrobenzimidazol-1-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.03632 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.04360 154.1
[M+Na]+ 291.02554 162.8
[M-H]- 267.02904 156.4
[M+NH4]+ 286.07014 170.3
[M+K]+ 306.99948 154.8
[M+H-H2O]+ 251.03358 151.5
[M+HCOO]- 313.03452 174.5
[M+CH3COO]- 327.05017 190.2
[M+Na-2H]- 289.01099 162.4
[M]+ 268.03577 156.7
[M]- 268.03687 156.7
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.