CID 735744

2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}benzoic acid

Structural Information

Molecular Formula
C18H17FN2O3
SMILES
C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C18H17FN2O3/c19-13-5-7-14(8-6-13)20-9-11-21(12-10-20)17(22)15-3-1-2-4-16(15)18(23)24/h1-8H,9-12H2,(H,23,24)
InChIKey
WWIWGBHJEFLSRN-UHFFFAOYSA-N
Compound name
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1223 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12958 177.8
[M+Na]+ 351.11152 190.0
[M+NH4]+ 346.15612 183.3
[M+K]+ 367.08546 184.0
[M-H]- 327.11502 180.0
[M+Na-2H]- 349.09697 184.5
[M]+ 328.12175 179.8
[M]- 328.12285 179.8
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

No patent data available for this compound.