CID 3021861

5-(4-(4-acetylphenyl)piperazin-1-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3CCC(=O)N3
InChI
InChI=1S/C16H21N3O2/c1-12(20)13-2-4-14(5-3-13)18-8-10-19(11-9-18)15-6-7-16(21)17-15/h2-5,15H,6-11H2,1H3,(H,17,21)
InChIKey
MCHNGTFBLIMKHC-UHFFFAOYSA-N
Compound name
5-[4-(4-acetylphenyl)piperazin-1-yl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

287.1634 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.170676 169.8
[M+Na]+ 310.152618 174.0
[M-H]- 286.156124 173.2
[M+NH4]+ 305.197223 181.6
[M+K]+ 326.126558 169.3
[M+H-H2O]+ 270.160660 159.7
[M+HCOO]- 332.161601 182.7
[M+CH3COO]- 346.177251 198.1
[M+Na-2H]- 308.138066 167.5
[M]+ 287.16285142 162.3
[M]- 287.16394858 162.3
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