CID 3021869

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

Structural Information

Molecular Formula
C14H19N3O2
SMILES
C1CC(=O)NC1N2CCN(CC2)C3=CC=C(C=C3)O
InChI
InChI=1S/C14H19N3O2/c18-12-3-1-11(2-4-12)16-7-9-17(10-8-16)13-5-6-14(19)15-13/h1-4,13,18H,5-10H2,(H,15,19)
InChIKey
YYWLYJCEXQFQJQ-UHFFFAOYSA-N
Compound name
5-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

261.14774 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.15502 163.2
[M+Na]+ 284.13696 173.9
[M+NH4]+ 279.18156 169.8
[M+K]+ 300.11090 170.0
[M-H]- 260.14046 165.6
[M+Na-2H]- 282.12241 168.3
[M]+ 261.14719 165.0
[M]- 261.14829 165.0
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