CID 203270

Salicylic acid, 4-(2-morpholinoacetamido)-, ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C15H20N2O5
SMILES
CCOC(=O)C1=C(C=C(C=C1)NC(=O)CN2CCOCC2)O
InChI
InChI=1S/C15H20N2O5/c1-2-22-15(20)12-4-3-11(9-13(12)18)16-14(19)10-17-5-7-21-8-6-17/h3-4,9,18H,2,5-8,10H2,1H3,(H,16,19)
InChIKey
OPTJOESBKQEROU-UHFFFAOYSA-N
Compound name
ethyl 2-hydroxy-4-[(2-morpholin-4-ylacetyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14448 171.2
[M+Na]+ 331.12642 174.6
[M-H]- 307.12992 174.9
[M+NH4]+ 326.17102 181.7
[M+K]+ 347.10036 173.8
[M+H-H2O]+ 291.13446 162.4
[M+HCOO]- 353.13540 187.7
[M+CH3COO]- 367.15105 203.2
[M+Na-2H]- 329.11187 173.0
[M]+ 308.13665 170.1
[M]- 308.13775 170.1
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.