CID 376198

Nsc656733

Structural Information

Molecular Formula
C35H34N2O5
SMILES
CC(C(C1=CC=CC=C1)O)C(=O)N2C(C(N(C2=O)C(=O)C(C)C(C3=CC=CC=C3)O)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C35H34N2O5/c1-23(31(38)27-19-11-5-12-20-27)33(40)36-29(25-15-7-3-8-16-25)30(26-17-9-4-10-18-26)37(35(36)42)34(41)24(2)32(39)28-21-13-6-14-22-28/h3-24,29-32,38-39H,1-2H3
InChIKey
VPYJTJAWJILYBY-UHFFFAOYSA-N
Compound name
1,3-bis(3-hydroxy-2-methyl-3-phenylpropanoyl)-4,5-diphenylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.24677 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.25405 232.8
[M+Na]+ 585.23599 231.5
[M-H]- 561.23949 241.9
[M+NH4]+ 580.28059 231.9
[M+K]+ 601.20993 226.8
[M+H-H2O]+ 545.24403 220.5
[M+HCOO]- 607.24497 241.0
[M+CH3COO]- 621.26062 250.1
[M+Na-2H]- 583.22144 223.2
[M]+ 562.24622 228.8
[M]- 562.24732 228.8
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.