CID 203152

Salicylic acid, 4-(3-piperidinopropionamido)-, propyl ester, hydrochloride

Structural Information

Molecular Formula
C18H26N2O4
SMILES
CCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCN2CCCCC2)O
InChI
InChI=1S/C18H26N2O4/c1-2-12-24-18(23)15-7-6-14(13-16(15)21)19-17(22)8-11-20-9-4-3-5-10-20/h6-7,13,21H,2-5,8-12H2,1H3,(H,19,22)
InChIKey
YSNRAWIFXBHEFG-UHFFFAOYSA-N
Compound name
propyl 2-hydroxy-4-(3-piperidin-1-ylpropanoylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.18927 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.196546 180.7
[M+Na]+ 357.178488 182.7
[M-H]- 333.181994 183.1
[M+NH4]+ 352.223093 191.4
[M+K]+ 373.152428 179.7
[M+H-H2O]+ 317.186530 171.5
[M+HCOO]- 379.187471 196.8
[M+CH3COO]- 393.203121 209.7
[M+Na-2H]- 355.163936 180.1
[M]+ 334.18872142 178.5
[M]- 334.18981858 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.