CID 26415

Methyl 4-(2-(dimethylamino)acetylamino)salicylate, methiodide

Structural Information

Molecular Formula
C13H19N2O4
SMILES
C[N+](C)(C)CC(=O)NC1=CC(=C(C=C1)C(=O)OC)O
InChI
InChI=1S/C13H18N2O4/c1-15(2,3)8-12(17)14-9-5-6-10(11(16)7-9)13(18)19-4/h5-7H,8H2,1-4H3,(H-,14,16,17,18)/p+1
InChIKey
IYLHXCAVAQXSJE-UHFFFAOYSA-O
Compound name
[2-(3-hydroxy-4-methoxycarbonylanilino)-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1345 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14178 157.4
[M+Na]+ 290.12372 163.4
[M-H]- 266.12722 161.6
[M+NH4]+ 285.16832 173.5
[M+K]+ 306.09766 157.2
[M+H-H2O]+ 250.13176 153.9
[M+HCOO]- 312.13270 180.0
[M+CH3COO]- 326.14835 195.3
[M+Na-2H]- 288.10917 164.0
[M]+ 267.13395 158.6
[M]- 267.13505 158.6
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.