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

712
References

7891
Patents

254.12666 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe