CID 3025488

4-(p-chlorophenylamino-carbonylaminomethyl)-1-benzylpyrrolidin-2-one

Structural Information

Molecular Formula
C19H20ClN3O2
SMILES
C1C(CN(C1=O)CC2=CC=CC=C2)CNC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H20ClN3O2/c20-16-6-8-17(9-7-16)22-19(25)21-11-15-10-18(24)23(13-15)12-14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,21,22,25)
InChIKey
WAKPLCFYMSAMQY-UHFFFAOYSA-N
Compound name
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

357.1244 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13168 184.9
[M+Na]+ 380.11362 190.4
[M-H]- 356.11712 192.8
[M+NH4]+ 375.15822 197.9
[M+K]+ 396.08756 183.9
[M+H-H2O]+ 340.12166 175.6
[M+HCOO]- 402.12260 202.8
[M+CH3COO]- 416.13825 215.2
[M+Na-2H]- 378.09907 185.3
[M]+ 357.12385 184.3
[M]- 357.12495 184.3
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

patents stripe