CID 3021854

91703-30-9

Structural Information

Molecular Formula
C14H19N3O
SMILES
C1CC(=O)NC1N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C14H19N3O/c18-14-7-6-13(15-14)17-10-8-16(9-11-17)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,15,18)
InChIKey
JAYSDEBWXVXRSO-UHFFFAOYSA-N
Compound name
5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

245.15282 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.160096 158.9
[M+Na]+ 268.142038 163.3
[M-H]- 244.145544 162.1
[M+NH4]+ 263.186643 172.4
[M+K]+ 284.115978 158.4
[M+H-H2O]+ 228.150080 148.7
[M+HCOO]- 290.151021 173.1
[M+CH3COO]- 304.166671 168.2
[M+Na-2H]- 266.127486 159.3
[M]+ 245.15227142 150.2
[M]- 245.15336858 150.2
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