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 172.6
[M+Na]+ 326.14752 176.7
[M-H]- 302.15102 176.0
[M+NH4]+ 321.19212 183.8
[M+K]+ 342.12146 172.6
[M+H-H2O]+ 286.15556 162.4
[M+HCOO]- 348.15650 185.7
[M+CH3COO]- 362.17215 199.6
[M+Na-2H]- 324.13297 170.4
[M]+ 303.15775 166.4
[M]- 303.15885 166.4
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.