CID 468482

Chembl329328

Structural Information

Molecular Formula
C26H25N3O3
SMILES
C1CN(CC1=O)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H25N3O3/c30-23-16-17-28(19-23)25(31)24(18-20-10-4-1-5-11-20)27-26(32)29(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,24H,16-19H2,(H,27,32)/t24-/m0/s1
InChIKey
YNCMCGQSICQBOE-DEOSSOPVSA-N
Compound name
3-[(2S)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]-1,1-diphenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

427.1896 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.19688 202.3
[M+Na]+ 450.17882 202.6
[M-H]- 426.18232 213.5
[M+NH4]+ 445.22342 210.3
[M+K]+ 466.15276 198.7
[M+H-H2O]+ 410.18686 190.5
[M+HCOO]- 472.18780 222.3
[M+CH3COO]- 486.20345 231.7
[M+Na-2H]- 448.16427 200.8
[M]+ 427.18905 198.8
[M]- 427.19015 198.8
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.