CID 203166

Butyl 4-(3-morpholinopropionylamino)salicylate, hydrochloride

Structural Information

Molecular Formula

C₁₈H₂₆N₂O₅

SMILES

CCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCN2CCOCC2)O

InChI

InChI=1S/C18H26N2O5/c1-2-3-10-25-18(23)15-5-4-14(13-16(15)21)19-17(22)6-7-20-8-11-24-12-9-20/h4-5,13,21H,2-3,6-12H2,1H3,(H,19,22)

InChIKey

GDSGDWMGUUSDAX-UHFFFAOYSA-N

Compound name

butyl 2-hydroxy-4-(3-morpholin-4-ylpropanoylamino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 350.18417 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	351.191446	184.7
[M+Na]+	373.173388	186.7
[M-H]-	349.176894	187.8
[M+NH4]+	368.217993	193.3
[M+K]+	389.147328	185.2
[M+H-H2O]+	333.181430	175.2
[M+HCOO]-	395.182371	200.0
[M+CH3COO]-	409.198021	212.2
[M+Na-2H]-	371.158836	184.9
[M]+	350.18362142	184.6
[M]-	350.18471858	184.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.