CID 3021860

91703-12-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

275.1634 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.170676 166.5
[M+Na]+ 298.152618 171.1
[M-H]- 274.156124 169.8
[M+NH4]+ 293.197223 178.9
[M+K]+ 314.126558 166.6
[M+H-H2O]+ 258.160660 156.2
[M+HCOO]- 320.161601 180.4
[M+CH3COO]- 334.177251 175.4
[M+Na-2H]- 296.138066 165.7
[M]+ 275.16285142 159.8
[M]- 275.16394858 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