CID 53855778

Hydroxyatenolol

Structural Information

Molecular Formula
C14H22N2O4
SMILES
CC(C)NCC(COC1=CC=C(C=C1)C(C(=O)N)O)O
InChI
InChI=1S/C14H22N2O4/c1-9(2)16-7-11(17)8-20-12-5-3-10(4-6-12)13(18)14(15)19/h3-6,9,11,13,16-18H,7-8H2,1-2H3,(H2,15,19)
InChIKey
GSZUNNBDULASMA-UHFFFAOYSA-N
Compound name
2-hydroxy-2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

282.15796 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16524 167.7
[M+Na]+ 305.14718 170.1
[M-H]- 281.15068 167.4
[M+NH4]+ 300.19178 180.7
[M+K]+ 321.12112 168.8
[M+H-H2O]+ 265.15522 160.4
[M+HCOO]- 327.15616 185.9
[M+CH3COO]- 341.17181 203.3
[M+Na-2H]- 303.13263 166.1
[M]+ 282.15741 165.9
[M]- 282.15851 165.9
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.