CID 3056623

Ethyl 4-(3-morpholinopropionylamino)salicylate, methiodide

Structural Information

Molecular Formula
C17H25N2O5
SMILES
CCOC(=O)C1=C(C=C(C=C1)NC(=O)CC[N+]2(CCOCC2)C)O
InChI
InChI=1S/C17H24N2O5/c1-3-24-17(22)14-5-4-13(12-15(14)20)18-16(21)6-7-19(2)8-10-23-11-9-19/h4-5,12H,3,6-11H2,1-2H3,(H-,18,20,21,22)/p+1
InChIKey
LQTVXUSSJBMKMJ-UHFFFAOYSA-O
Compound name
ethyl 2-hydroxy-4-[3-(4-methylmorpholin-4-ium-4-yl)propanoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.17636 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18364 178.9
[M+Na]+ 360.16558 182.1
[M-H]- 336.16908 182.8
[M+NH4]+ 355.21018 190.2
[M+K]+ 376.13952 175.4
[M+H-H2O]+ 320.17362 173.5
[M+HCOO]- 382.17456 194.1
[M+CH3COO]- 396.19021 201.0
[M+Na-2H]- 358.15103 183.5
[M]+ 337.17581 177.1
[M]- 337.17691 177.1
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.