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 176.4
[M+Na]+ 383.05175 191.0
[M+NH4]+ 378.09635 182.9
[M+K]+ 399.02569 188.4
[M-H]- 359.05525 180.6
[M+Na-2H]- 381.03720 183.6
[M]+ 360.06198 179.7
[M]- 360.06308 179.7
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.