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]+ 309.144476 171.2
[M+Na]+ 331.126418 174.6
[M-H]- 307.129924 174.9
[M+NH4]+ 326.171023 181.7
[M+K]+ 347.100358 173.8
[M+H-H2O]+ 291.134460 162.4
[M+HCOO]- 353.135401 187.7
[M+CH3COO]- 367.151051 203.2
[M+Na-2H]- 329.111866 173.0
[M]+ 308.13665142 170.1
[M]- 308.13774858 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.