CID 204176

4-(2-((4-carboxy-3-hydroxyphenyl)carbamoyl)ethyl)-4-methylmorpholinium iodide methyl ester

Structural Information

Molecular Formula
C16H23N2O5
SMILES
C[N+]1(CCOCC1)CCC(=O)NC2=CC(=C(C=C2)C(=O)OC)O
InChI
InChI=1S/C16H22N2O5/c1-18(7-9-23-10-8-18)6-5-15(20)17-12-3-4-13(14(19)11-12)16(21)22-2/h3-4,11H,5-10H2,1-2H3,(H-,17,19,20,21)/p+1
InChIKey
FGKKPVKAQHIHLU-UHFFFAOYSA-O
Compound name
methyl 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

323.1607 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.16798 173.3
[M+Na]+ 346.14992 184.5
[M+NH4]+ 341.19452 180.8
[M+K]+ 362.12386 179.3
[M-H]- 322.15342 177.5
[M+Na-2H]- 344.13537 179.2
[M]+ 323.16015 176.2
[M]- 323.16125 176.2
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.