CID 4195

Midodrine

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₄

SMILES

COC1=CC(=C(C=C1)OC)C(CNC(=O)CN)O

InChI

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

InChIKey

PTKSEFOSCHHMPD-UHFFFAOYSA-N

Compound name

2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 708
References: 7802
Patents: 254.12666 Da
Monoisotopic Mass: -0.6
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]+	255.13394	157.6
[M+Na]+	277.11588	162.9
[M-H]-	253.11938	159.4
[M+NH4]+	272.16048	173.1
[M+K]+	293.08982	161.7
[M+H-H2O]+	237.12392	150.6
[M+HCOO]-	299.12486	180.1
[M+CH3COO]-	313.14051	198.3
[M+Na-2H]-	275.10133	159.4
[M]+	254.12611	158.6
[M]-	254.12721	158.6

Literature stripe

literature stripe

Patent stripe

patents stripe