CID 203154

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

Structural Information

Molecular Formula
C17H24N2O5
SMILES
CCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCN2CCOCC2)O
InChI
InChI=1S/C17H24N2O5/c1-2-9-24-17(22)14-4-3-13(12-15(14)20)18-16(21)5-6-19-7-10-23-11-8-19/h3-4,12,20H,2,5-11H2,1H3,(H,18,21)
InChIKey
KWLDUTUYFIHDGL-UHFFFAOYSA-N
Compound name
propyl 2-hydroxy-4-(3-morpholin-4-ylpropanoylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.16852 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.175796 180.2
[M+Na]+ 359.157738 182.7
[M-H]- 335.161244 183.5
[M+NH4]+ 354.202343 189.5
[M+K]+ 375.131678 181.5
[M+H-H2O]+ 319.165780 170.9
[M+HCOO]- 381.166721 195.9
[M+CH3COO]- 395.182371 209.2
[M+Na-2H]- 357.143186 180.9
[M]+ 336.16797142 179.8
[M]- 336.16906858 179.8
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.