CID 203158

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

Structural Information

Molecular Formula
C18H26N2O4
SMILES
CCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CN2CCCCC2)O
InChI
InChI=1S/C18H26N2O4/c1-2-3-11-24-18(23)15-8-7-14(12-16(15)21)19-17(22)13-20-9-5-4-6-10-20/h7-8,12,21H,2-6,9-11,13H2,1H3,(H,19,22)
InChIKey
XJYVMRNSZGWCPH-UHFFFAOYSA-N
Compound name
butyl 2-hydroxy-4-[(2-piperidin-1-ylacetyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.18927 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.19655 180.7
[M+Na]+ 357.17849 182.7
[M-H]- 333.18199 183.1
[M+NH4]+ 352.22309 191.4
[M+K]+ 373.15243 179.7
[M+H-H2O]+ 317.18653 171.5
[M+HCOO]- 379.18747 196.8
[M+CH3COO]- 393.20312 209.7
[M+Na-2H]- 355.16394 180.1
[M]+ 334.18872 178.5
[M]- 334.18982 178.5
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.