CID 1352002

22442-74-6

Structural Information

Molecular Formula
C23H21N3O4
SMILES
C1=CC=C(C=C1)CC(=O)NC(C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C23H21N3O4/c27-21(14-17-8-3-1-4-9-17)24-23(19-12-7-13-20(16-19)26(29)30)25-22(28)15-18-10-5-2-6-11-18/h1-13,16,23H,14-15H2,(H,24,27)(H,25,28)
InChIKey
XWIGDJWQAJXIEA-UHFFFAOYSA-N
Compound name
N-[(3-nitrophenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

403.1532 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.160476 194.4
[M+Na]+ 426.142418 194.4
[M-H]- 402.145924 202.5
[M+NH4]+ 421.187023 201.7
[M+K]+ 442.116358 186.4
[M+H-H2O]+ 386.150460 187.8
[M+HCOO]- 448.151401 217.3
[M+CH3COO]- 462.167051 220.6
[M+Na-2H]- 424.127866 198.2
[M]+ 403.15265142 190.7
[M]- 403.15374858 190.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.