CID 203180

Salicylic acid, 4-(2-piperidinoacetamido)-, hexyl ester, hydrochloride

Structural Information

Molecular Formula
C20H30N2O4
SMILES
CCCCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CN2CCCCC2)O
InChI
InChI=1S/C20H30N2O4/c1-2-3-4-8-13-26-20(25)17-10-9-16(14-18(17)23)21-19(24)15-22-11-6-5-7-12-22/h9-10,14,23H,2-8,11-13,15H2,1H3,(H,21,24)
InChIKey
MIPFFKZOYRHWDX-UHFFFAOYSA-N
Compound name
hexyl 2-hydroxy-4-[(2-piperidin-1-ylacetyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.22055 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.227826 189.4
[M+Na]+ 385.209768 190.5
[M-H]- 361.213274 191.4
[M+NH4]+ 380.254373 199.0
[M+K]+ 401.183708 187.2
[M+H-H2O]+ 345.217810 179.9
[M+HCOO]- 407.218751 204.8
[M+CH3COO]- 421.234401 215.7
[M+Na-2H]- 383.195216 187.8
[M]+ 362.22000142 187.9
[M]- 362.22109858 187.9
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.