CID 203186

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

Structural Information

Molecular Formula
C21H32N2O4
SMILES
CCCCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCN2CCCCC2)O
InChI
InChI=1S/C21H32N2O4/c1-2-3-4-8-15-27-21(26)18-10-9-17(16-19(18)24)22-20(25)11-14-23-12-6-5-7-13-23/h9-10,16,24H,2-8,11-15H2,1H3,(H,22,25)
InChIKey
CIOGIHTXSKFHGG-UHFFFAOYSA-N
Compound name
hexyl 2-hydroxy-4-(3-piperidin-1-ylpropanoylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.2362 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.24348 193.8
[M+Na]+ 399.22542 194.4
[M-H]- 375.22892 195.6
[M+NH4]+ 394.27002 202.7
[M+K]+ 415.19936 190.9
[M+H-H2O]+ 359.23346 184.1
[M+HCOO]- 421.23440 208.8
[M+CH3COO]- 435.25005 218.6
[M+Na-2H]- 397.21087 191.7
[M]+ 376.23565 192.6
[M]- 376.23675 192.6
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.