CID 2268962

N-(((diphenylacetyl)amino)(3-nitrophenyl)methyl)-2,2-diphenylacetamide

Structural Information

Molecular Formula
C35H29N3O4
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(C3=CC(=CC=C3)[N+](=O)[O-])NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C35H29N3O4/c39-34(31(25-14-5-1-6-15-25)26-16-7-2-8-17-26)36-33(29-22-13-23-30(24-29)38(41)42)37-35(40)32(27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-24,31-33H,(H,36,39)(H,37,40)
InChIKey
HLQUTEORYNRWKT-UHFFFAOYSA-N
Compound name
N-[[(2,2-diphenylacetyl)amino]-(3-nitrophenyl)methyl]-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

555.2158 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.22308 234.3
[M+Na]+ 578.20502 248.3
[M+NH4]+ 573.24962 239.8
[M+K]+ 594.17896 241.9
[M-H]- 554.20852 246.1
[M+Na-2H]- 576.19047 247.2
[M]+ 555.21525 239.5
[M]- 555.21635 239.5
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.