CID 2887257

N-((3,4-dimethoxyphenyl)((diphenylacetyl)amino)methyl)-2,2-diphenylacetamide

Structural Information

Molecular Formula
C37H34N2O4
SMILES
COC1=C(C=C(C=C1)C(NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)OC
InChI
InChI=1S/C37H34N2O4/c1-42-31-24-23-30(25-32(31)43-2)35(38-36(40)33(26-15-7-3-8-16-26)27-17-9-4-10-18-27)39-37(41)34(28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-25,33-35H,1-2H3,(H,38,40)(H,39,41)
InChIKey
NYXAZWVDSBFMBH-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethoxyphenyl)-[(2,2-diphenylacetyl)amino]methyl]-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.25183 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.25911 239.3
[M+Na]+ 593.24105 236.9
[M-H]- 569.24455 251.8
[M+NH4]+ 588.28565 239.0
[M+K]+ 609.21499 232.6
[M+H-H2O]+ 553.24909 224.9
[M+HCOO]- 615.25003 256.4
[M+CH3COO]- 629.26568 259.1
[M+Na-2H]- 591.22650 237.0
[M]+ 570.25128 237.5
[M]- 570.25238 237.5
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.