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 230.1
[M+Na]+ 578.20502 225.1
[M-H]- 554.20852 241.9
[M+NH4]+ 573.24962 228.9
[M+K]+ 594.17896 216.4
[M+H-H2O]+ 538.21306 220.1
[M+HCOO]- 600.21400 248.0
[M+CH3COO]- 614.22965 249.0
[M+Na-2H]- 576.19047 231.1
[M]+ 555.21525 223.3
[M]- 555.21635 223.3
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.