CID 3025505

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

Structural Information

Molecular Formula
C16H14N4O4
SMILES
C1=CC=C(C=C1)OCC(=O)NCN2C=NC3=C2C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H14N4O4/c21-16(9-24-13-4-2-1-3-5-13)18-11-19-10-17-14-7-6-12(20(22)23)8-15(14)19/h1-8,10H,9,11H2,(H,18,21)
InChIKey
ODUUDPYBQWNPCG-UHFFFAOYSA-N
Compound name
N-[(6-nitrobenzimidazol-1-yl)methyl]-2-phenoxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1015 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.108776 170.2
[M+Na]+ 349.090718 176.4
[M-H]- 325.094224 175.7
[M+NH4]+ 344.135323 182.4
[M+K]+ 365.064658 168.6
[M+H-H2O]+ 309.098760 164.8
[M+HCOO]- 371.099701 194.6
[M+CH3COO]- 385.115351 202.6
[M+Na-2H]- 347.076166 178.8
[M]+ 326.10095142 171.6
[M]- 326.10204858 171.6
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.