CID 203164

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

Structural Information

Molecular Formula
C19H28N2O4
SMILES
CCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCN2CCCCC2)O
InChI
InChI=1S/C19H28N2O4/c1-2-3-13-25-19(24)16-8-7-15(14-17(16)22)20-18(23)9-12-21-10-5-4-6-11-21/h7-8,14,22H,2-6,9-13H2,1H3,(H,20,23)
InChIKey
CQKOHDMRRVVYEJ-UHFFFAOYSA-N
Compound name
butyl 2-hydroxy-4-(3-piperidin-1-ylpropanoylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2049 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21218 185.1
[M+Na]+ 371.19412 186.6
[M-H]- 347.19762 187.3
[M+NH4]+ 366.23872 195.2
[M+K]+ 387.16806 183.5
[M+H-H2O]+ 331.20216 175.7
[M+HCOO]- 393.20310 200.8
[M+CH3COO]- 407.21875 212.7
[M+Na-2H]- 369.17957 184.0
[M]+ 348.20435 183.2
[M]- 348.20545 183.2
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.