CID 4883

Practolol

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O
InChI
InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)
InChIKey
DURULFYMVIFBIR-UHFFFAOYSA-N
Compound name
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1609
References

6343
Patents

266.16306 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.170336 164.5
[M+Na]+ 289.152278 167.8
[M-H]- 265.155784 166.1
[M+NH4]+ 284.196883 179.4
[M+K]+ 305.126218 166.4
[M+H-H2O]+ 249.160320 157.2
[M+HCOO]- 311.161261 185.7
[M+CH3COO]- 325.176911 202.3
[M+Na-2H]- 287.137726 165.6
[M]+ 266.16251142 164.7
[M]- 266.16360858 164.7
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