CID 43216

Dihydroalprenolol

Structural Information

Molecular Formula
C15H25NO2
SMILES
CCCC1=CC=CC=C1OCC(CNC(C)C)O
InChI
InChI=1S/C15H25NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h5-6,8-9,12,14,16-17H,4,7,10-11H2,1-3H3
InChIKey
JVHCMYZFGCOCTD-UHFFFAOYSA-N
Compound name
1-(propan-2-ylamino)-3-(2-propylphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1243
References

567
Patents

251.18852 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.195796 163.2
[M+Na]+ 274.177738 167.0
[M-H]- 250.181244 164.6
[M+NH4]+ 269.222343 179.4
[M+K]+ 290.151678 164.8
[M+H-H2O]+ 234.185780 156.3
[M+HCOO]- 296.186721 183.7
[M+CH3COO]- 310.202371 198.6
[M+Na-2H]- 272.163186 164.7
[M]+ 251.18797142 164.6
[M]- 251.18906858 164.6
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