CID 3025508

Acetamide, 2-(4-chlorophenoxy)-n-((6-nitro-1h-benzimidazol-1-yl)methyl)-

Structural Information

Molecular Formula
C16H13ClN4O4
SMILES
C1=CC(=CC=C1OCC(=O)NCN2C=NC3=C2C=C(C=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C16H13ClN4O4/c17-11-1-4-13(5-2-11)25-8-16(22)19-10-20-9-18-14-6-3-12(21(23)24)7-15(14)20/h1-7,9H,8,10H2,(H,19,22)
InChIKey
WJQCDPXHVMPXKT-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-N-[(6-nitrobenzimidazol-1-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.06253 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.06981 178.6
[M+Na]+ 383.05175 186.0
[M-H]- 359.05525 184.0
[M+NH4]+ 378.09635 190.5
[M+K]+ 399.02569 177.0
[M+H-H2O]+ 343.05979 174.0
[M+HCOO]- 405.06073 198.2
[M+CH3COO]- 419.07638 207.4
[M+Na-2H]- 381.03720 185.7
[M]+ 360.06198 182.7
[M]- 360.06308 182.7
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.