CID 134327856

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

Structural Information

Molecular Formula
C19H20N2O4
SMILES
C1CN(CCN1C2=CC=C(C=C2)C(=O)O)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O4/c22-18(23)16-6-8-17(9-7-16)20-10-12-21(13-11-20)19(24)25-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,22,23)
InChIKey
IJGALWHVOLAPRQ-UHFFFAOYSA-N
Compound name
4-(4-phenylmethoxycarbonylpiperazin-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

340.1423 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14958 180.5
[M+Na]+ 363.13152 192.7
[M+NH4]+ 358.17612 186.1
[M+K]+ 379.10546 186.8
[M-H]- 339.13502 183.7
[M+Na-2H]- 361.11697 187.7
[M]+ 340.14175 182.8
[M]- 340.14285 182.8
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

patents stripe