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]+ 363.22783 189.4
[M+Na]+ 385.20977 190.5
[M-H]- 361.21327 191.4
[M+NH4]+ 380.25437 199.0
[M+K]+ 401.18371 187.2
[M+H-H2O]+ 345.21781 179.9
[M+HCOO]- 407.21875 204.8
[M+CH3COO]- 421.23440 215.7
[M+Na-2H]- 383.19522 187.8
[M]+ 362.22000 187.9
[M]- 362.22110 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.