CID 203140

Salicylic acid, 4-(3-morpholinopropionamido)-, ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C16H22N2O5
SMILES
CCOC(=O)C1=C(C=C(C=C1)NC(=O)CCN2CCOCC2)O
InChI
InChI=1S/C16H22N2O5/c1-2-23-16(21)13-4-3-12(11-14(13)19)17-15(20)5-6-18-7-9-22-10-8-18/h3-4,11,19H,2,5-10H2,1H3,(H,17,20)
InChIKey
BJKVUMQNNUISSC-UHFFFAOYSA-N
Compound name
ethyl 2-hydroxy-4-(3-morpholin-4-ylpropanoylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.15286 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.16014 175.9
[M+Na]+ 345.14208 184.7
[M+NH4]+ 340.18668 180.5
[M+K]+ 361.11602 180.9
[M-H]- 321.14558 178.2
[M+Na-2H]- 343.12753 178.9
[M]+ 322.15231 177.3
[M]- 322.15341 177.3
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.