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

25
Patents

340.1423 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.149576 179.9
[M+Na]+ 363.131518 183.4
[M-H]- 339.135024 184.4
[M+NH4]+ 358.176123 188.6
[M+K]+ 379.105458 179.5
[M+H-H2O]+ 323.139560 169.1
[M+HCOO]- 385.140501 194.5
[M+CH3COO]- 399.156151 206.5
[M+Na-2H]- 361.116966 180.8
[M]+ 340.14175142 176.4
[M]- 340.14284858 176.4
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