CID 3056459

Methyl 4-(3-piperidinopropionylamino)salicylate, methiodide

Structural Information

Molecular Formula
C17H25N2O4
SMILES
C[N+]1(CCCCC1)CCC(=O)NC2=CC(=C(C=C2)C(=O)OC)O
InChI
InChI=1S/C17H24N2O4/c1-19(9-4-3-5-10-19)11-8-16(21)18-13-6-7-14(15(20)12-13)17(22)23-2/h6-7,12H,3-5,8-11H2,1-2H3,(H-,18,20,21,22)/p+1
InChIKey
OWJLYUBGUZOHOQ-UHFFFAOYSA-O
Compound name
methyl 2-hydroxy-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.18143 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18871 175.5
[M+Na]+ 344.17065 178.8
[M-H]- 320.17415 178.7
[M+NH4]+ 339.21525 188.9
[M+K]+ 360.14459 170.5
[M+H-H2O]+ 304.17869 170.4
[M+HCOO]- 366.17963 191.5
[M+CH3COO]- 380.19528 198.6
[M+Na-2H]- 342.15610 179.2
[M]+ 321.18088 171.6
[M]- 321.18198 171.6
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.