CID 112570

N-[3-[(2,3-dihydroxypropyl)amino]-4-methoxyphenyl]acetamide

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₄

SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NCC(CO)O

InChI

InChI=1S/C12H18N2O4/c1-8(16)14-9-3-4-12(18-2)11(5-9)13-6-10(17)7-15/h3-5,10,13,15,17H,6-7H2,1-2H3,(H,14,16)

InChIKey

NOZUFNYPCCFIKF-UHFFFAOYSA-N

Compound name

N-[3-(2,3-dihydroxypropylamino)-4-methoxyphenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 254.12666 Da
Monoisotopic Mass: 0.4
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]+	255.133936	157.5
[M+Na]+	277.115878	162.2
[M-H]-	253.119384	158.3
[M+NH4]+	272.160483	172.5
[M+K]+	293.089818	160.6
[M+H-H2O]+	237.123920	150.6
[M+HCOO]-	299.124861	179.0
[M+CH3COO]-	313.140511	196.5
[M+Na-2H]-	275.101326	159.8
[M]+	254.12611142	157.6
[M]-	254.12720858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe