CID 203213

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

Structural Information

Molecular Formula
C16H23N2O5
SMILES
CCOC(=O)C1=C(C=C(C=C1)NC(=O)C[N+]2(CCOCC2)C)O
InChI
InChI=1S/C16H22N2O5/c1-3-23-16(21)13-5-4-12(10-14(13)19)17-15(20)11-18(2)6-8-22-9-7-18/h4-5,10H,3,6-9,11H2,1-2H3,(H-,17,19,20,21)/p+1
InChIKey
FOWPHOGHRNFHJB-UHFFFAOYSA-O
Compound name
ethyl 2-hydroxy-4-[[2-(4-methylmorpholin-4-ium-4-yl)acetyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1607 Da
Monoisotopic Mass

1.2
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.

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No patent data available for this compound.