CID 202643

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

Structural Information

Molecular Formula
C15H20N2O5
SMILES
COC(=O)C1=C(C=C(C=C1)NC(=O)CCN2CCOCC2)O
InChI
InChI=1S/C15H20N2O5/c1-21-15(20)12-3-2-11(10-13(12)18)16-14(19)4-5-17-6-8-22-9-7-17/h2-3,10,18H,4-9H2,1H3,(H,16,19)
InChIKey
NGRDHZKACMYUMC-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-4-(3-morpholin-4-ylpropanoylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14448 171.5
[M+Na]+ 331.12642 180.5
[M+NH4]+ 326.17102 176.2
[M+K]+ 347.10036 177.0
[M-H]- 307.12992 173.8
[M+Na-2H]- 329.11187 174.7
[M]+ 308.13665 172.9
[M]- 308.13775 172.9
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.