CID 171322

4-hydroxyalprenolol

Structural Information

Molecular Formula
C15H23NO3
SMILES
CC(C)NCC(COC1=C(C=C(C=C1)O)CC=C)O
InChI
InChI=1S/C15H23NO3/c1-4-5-12-8-13(17)6-7-15(12)19-10-14(18)9-16-11(2)3/h4,6-8,11,14,16-18H,1,5,9-10H2,2-3H3
InChIKey
HNXRWPIZRBNFDD-UHFFFAOYSA-N
Compound name
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

265.1678 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 164.7
[M+Na]+ 288.15702 169.2
[M-H]- 264.16052 165.0
[M+NH4]+ 283.20162 179.7
[M+K]+ 304.13096 166.1
[M+H-H2O]+ 248.16506 158.1
[M+HCOO]- 310.16600 184.0
[M+CH3COO]- 324.18165 198.6
[M+Na-2H]- 286.14247 165.0
[M]+ 265.16725 165.3
[M]- 265.16835 165.3
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

No patent data available for this compound.