CID 3021856

91703-08-1

Structural Information

Molecular Formula
C14H18FN3O
SMILES
C1CC(=O)NC1N2CCN(CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H18FN3O/c15-11-1-3-12(4-2-11)17-7-9-18(10-8-17)13-5-6-14(19)16-13/h1-4,13H,5-10H2,(H,16,19)
InChIKey
DOFMHBLQPXXPJU-UHFFFAOYSA-N
Compound name
5-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

263.1434 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15068 162.1
[M+Na]+ 286.13262 167.5
[M-H]- 262.13612 164.2
[M+NH4]+ 281.17722 175.1
[M+K]+ 302.10656 162.1
[M+H-H2O]+ 246.14066 151.2
[M+HCOO]- 308.14160 175.2
[M+CH3COO]- 322.15725 171.1
[M+Na-2H]- 284.11807 161.2
[M]+ 263.14285 152.7
[M]- 263.14395 152.7
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