CID 203219

1-(((4-carboxy-3-hydroxyphenyl)carbamoyl)methyl)-1-methylpiperidinium iodide methyl ester

Structural Information

Molecular Formula
C16H23N2O4
SMILES
C[N+]1(CCCCC1)CC(=O)NC2=CC(=C(C=C2)C(=O)OC)O
InChI
InChI=1S/C16H22N2O4/c1-18(8-4-3-5-9-18)11-15(20)17-12-6-7-13(14(19)10-12)16(21)22-2/h6-7,10H,3-5,8-9,11H2,1-2H3,(H-,17,19,20,21)/p+1
InChIKey
GIDXHFLQPDXQDH-UHFFFAOYSA-O
Compound name
methyl 2-hydroxy-4-[[2-(1-methylpiperidin-1-ium-1-yl)acetyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.16577 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17305 170.2
[M+Na]+ 330.15499 181.5
[M+NH4]+ 325.19959 178.4
[M+K]+ 346.12893 175.5
[M-H]- 306.15849 173.6
[M+Na-2H]- 328.14044 177.0
[M]+ 307.16522 172.9
[M]- 307.16632 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.