CID 3002813

Chembl91037

Structural Information

Molecular Formula
C20H19ClN2O2
SMILES
C1CCN(C1)C(=O)/C(=C(/C2=CC=CC=C2)\Cl)/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H19ClN2O2/c21-17(15-9-3-1-4-10-15)18(20(25)23-13-7-8-14-23)22-19(24)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,22,24)/b18-17+
InChIKey
PYZRSULWYRVUML-ISLYRVAYSA-N
Compound name
N-[(E)-1-chloro-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.1135 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12078 184.8
[M+Na]+ 377.10272 187.4
[M-H]- 353.10622 191.8
[M+NH4]+ 372.14732 197.1
[M+K]+ 393.07666 181.7
[M+H-H2O]+ 337.11076 175.7
[M+HCOO]- 399.11170 198.6
[M+CH3COO]- 413.12735 210.7
[M+Na-2H]- 375.08817 182.8
[M]+ 354.11295 181.6
[M]- 354.11405 181.6
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.