CID 3025505

103706-81-6

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]+ 327.10878 170.3
[M+Na]+ 349.09072 183.6
[M+NH4]+ 344.13532 176.5
[M+K]+ 365.06466 181.9
[M-H]- 325.09422 174.4
[M+Na-2H]- 347.07617 177.7
[M]+ 326.10095 173.0
[M]- 326.10205 173.0
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.