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

7
Patents

261.14774 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.155016 162.6
[M+Na]+ 284.136958 167.3
[M-H]- 260.140464 164.8
[M+NH4]+ 279.181563 174.9
[M+K]+ 300.110898 162.2
[M+H-H2O]+ 244.145000 152.9
[M+HCOO]- 306.145941 175.4
[M+CH3COO]- 320.161591 171.3
[M+Na-2H]- 282.122406 161.9
[M]+ 261.14719142 153.9
[M]- 261.14828858 153.9
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