CID 217803

1-(4-chlorophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C15H17ClN2O3
SMILES
C1COCCN1C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H17ClN2O3/c16-12-1-3-13(4-2-12)18-10-11(9-14(18)19)15(20)17-5-7-21-8-6-17/h1-4,11H,5-10H2
InChIKey
HDKOKYLSAJDNNA-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

308.09277 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.10005 171.0
[M+Na]+ 331.08199 176.9
[M-H]- 307.08549 177.7
[M+NH4]+ 326.12659 183.6
[M+K]+ 347.05593 173.3
[M+H-H2O]+ 291.09003 162.0
[M+HCOO]- 353.09097 181.6
[M+CH3COO]- 367.10662 180.9
[M+Na-2H]- 329.06744 169.8
[M]+ 308.09222 168.4
[M]- 308.09332 168.4
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.