CID 217131

38160-05-3

Structural Information

Molecular Formula
C16H21N3O3
SMILES
COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCNCC3
InChI
InChI=1S/C16H21N3O3/c1-22-14-4-2-13(3-5-14)19-11-12(10-15(19)20)16(21)18-8-6-17-7-9-18/h2-5,12,17H,6-11H2,1H3
InChIKey
JKGXLZWWNBGJSP-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1583 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16558 173.2
[M+Na]+ 326.14752 183.2
[M+NH4]+ 321.19212 178.8
[M+K]+ 342.12146 179.9
[M-H]- 302.15102 175.1
[M+Na-2H]- 324.13297 177.6
[M]+ 303.15775 174.7
[M]- 303.15885 174.7
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.