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]+ 404.16048 194.4
[M+Na]+ 426.14242 194.4
[M-H]- 402.14592 202.5
[M+NH4]+ 421.18702 201.7
[M+K]+ 442.11636 186.4
[M+H-H2O]+ 386.15046 187.8
[M+HCOO]- 448.15140 217.3
[M+CH3COO]- 462.16705 220.6
[M+Na-2H]- 424.12787 198.2
[M]+ 403.15265 190.7
[M]- 403.15375 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.