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
1
Annotation Hits

1243
References

539
Patents

251.18852 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.19580 162.4
[M+Na]+ 274.17774 172.1
[M+NH4]+ 269.22234 169.4
[M+K]+ 290.15168 166.1
[M-H]- 250.18124 163.9
[M+Na-2H]- 272.16319 166.8
[M]+ 251.18797 164.0
[M]- 251.18907 164.0
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