CID 468483

Chembl96304

Structural Information

Molecular Formula
C21H23N3O3
SMILES
CN(C1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC(=O)C3
InChI
InChI=1S/C21H23N3O3/c1-23(17-10-6-3-7-11-17)21(27)22-19(14-16-8-4-2-5-9-16)20(26)24-13-12-18(25)15-24/h2-11,19H,12-15H2,1H3,(H,22,27)/t19-/m0/s1
InChIKey
VWTYUWRLIIWROW-IBGZPJMESA-N
Compound name
1-methyl-3-[(2S)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.17395 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.18123 187.6
[M+Na]+ 388.16317 189.1
[M-H]- 364.16667 196.3
[M+NH4]+ 383.20777 199.0
[M+K]+ 404.13711 186.6
[M+H-H2O]+ 348.17121 177.3
[M+HCOO]- 410.17215 208.3
[M+CH3COO]- 424.18780 220.9
[M+Na-2H]- 386.14862 186.2
[M]+ 365.17340 185.2
[M]- 365.17450 185.2
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.