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

literature stripe

Patent stripe

patents stripe