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 175.7
[M+Na]+ 345.14208 178.6
[M-H]- 321.14558 179.2
[M+NH4]+ 340.18668 185.6
[M+K]+ 361.11602 177.6
[M+H-H2O]+ 305.15012 166.6
[M+HCOO]- 367.15106 191.8
[M+CH3COO]- 381.16671 206.2
[M+Na-2H]- 343.12753 177.0
[M]+ 322.15231 174.9
[M]- 322.15341 174.9
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.