CID 9397920

3-chloro-n-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

Structural Information

Molecular Formula
C13H15ClN2O2
SMILES
C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CCCl
InChI
InChI=1S/C13H15ClN2O2/c14-8-7-12(17)15-10-3-5-11(6-4-10)16-9-1-2-13(16)18/h3-6H,1-2,7-9H2,(H,15,17)
InChIKey
XZUBHHHZKAVOTM-UHFFFAOYSA-N
Compound name
3-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0822 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08948 160.3
[M+Na]+ 289.07142 167.2
[M-H]- 265.07492 165.3
[M+NH4]+ 284.11602 177.6
[M+K]+ 305.04536 162.4
[M+H-H2O]+ 249.07946 153.1
[M+HCOO]- 311.08040 177.8
[M+CH3COO]- 325.09605 195.7
[M+Na-2H]- 287.05687 161.6
[M]+ 266.08165 160.3
[M]- 266.08275 160.3
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

No patent data available for this compound.