CID 3021868

5-(4-(3-methoxyphenyl)piperazin-1-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C15H21N3O2
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)C3CCC(=O)N3
InChI
InChI=1S/C15H21N3O2/c1-20-13-4-2-3-12(11-13)17-7-9-18(10-8-17)14-5-6-15(19)16-14/h2-4,11,14H,5-10H2,1H3,(H,16,19)
InChIKey
FMJIQEYWHGIUOR-UHFFFAOYSA-N
Compound name
5-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

275.1634 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17068 166.5
[M+Na]+ 298.15262 171.1
[M-H]- 274.15612 169.8
[M+NH4]+ 293.19722 178.9
[M+K]+ 314.12656 166.6
[M+H-H2O]+ 258.16066 156.2
[M+HCOO]- 320.16160 180.4
[M+CH3COO]- 334.17725 175.4
[M+Na-2H]- 296.13807 165.7
[M]+ 275.16285 159.8
[M]- 275.16395 159.8
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

patents stripe