CID 3056625

Methyl 4-(2-morpholinoacetylamino)salicylate, methiodide

Structural Information

Molecular Formula
C15H21N2O5
SMILES
C[N+]1(CCOCC1)CC(=O)NC2=CC(=C(C=C2)C(=O)OC)O
InChI
InChI=1S/C15H20N2O5/c1-17(5-7-22-8-6-17)10-14(19)16-11-3-4-12(13(18)9-11)15(20)21-2/h3-4,9H,5-8,10H2,1-2H3,(H-,16,18,19,20)/p+1
InChIKey
YJXIRSHOOLGVCI-UHFFFAOYSA-O
Compound name
methyl 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

309.14505 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15233 169.8
[M+Na]+ 332.13427 173.9
[M-H]- 308.13777 174.1
[M+NH4]+ 327.17887 182.3
[M+K]+ 348.10821 167.6
[M+H-H2O]+ 292.14231 164.8
[M+HCOO]- 354.14325 185.7
[M+CH3COO]- 368.15890 195.1
[M+Na-2H]- 330.11972 175.5
[M]+ 309.14450 167.3
[M]- 309.14560 167.3
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.