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]+ 337.17580 180.2
[M+Na]+ 359.15774 182.7
[M-H]- 335.16124 183.5
[M+NH4]+ 354.20234 189.5
[M+K]+ 375.13168 181.5
[M+H-H2O]+ 319.16578 170.9
[M+HCOO]- 381.16672 195.9
[M+CH3COO]- 395.18237 209.2
[M+Na-2H]- 357.14319 180.9
[M]+ 336.16797 179.8
[M]- 336.16907 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.