CID 203170

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

Structural Information

Molecular Formula
C19H28N2O4
SMILES
CCCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CN2CCCCC2)O
InChI
InChI=1S/C19H28N2O4/c1-2-3-7-12-25-19(24)16-9-8-15(13-17(16)22)20-18(23)14-21-10-5-4-6-11-21/h8-9,13,22H,2-7,10-12,14H2,1H3,(H,20,23)
InChIKey
XGHDRSHYBPZKCV-UHFFFAOYSA-N
Compound name
pentyl 2-hydroxy-4-[(2-piperidin-1-ylacetyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2049 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21218 185.6
[M+Na]+ 371.19412 193.8
[M+NH4]+ 366.23872 190.4
[M+K]+ 387.16806 188.6
[M-H]- 347.19762 186.9
[M+Na-2H]- 369.17957 188.8
[M]+ 348.20435 186.6
[M]- 348.20545 186.6
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.