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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	366.181226	187.6
[M+Na]+	388.163168	189.1
[M-H]-	364.166674	196.3
[M+NH4]+	383.207773	199.0
[M+K]+	404.137108	186.6
[M+H-H2O]+	348.171210	177.3
[M+HCOO]-	410.172151	208.3
[M+CH3COO]-	424.187801	220.9
[M+Na-2H]-	386.148616	186.2
[M]+	365.17340142	185.2
[M]-	365.17449858	185.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.