CID 215169

1-((alpha-benzylphenethyl)oxy)-3-(butylamino)-2-propanol hydrochloride

Structural Information

Molecular Formula
C22H31NO2
SMILES
CCCCNCC(COC(CC1=CC=CC=C1)CC2=CC=CC=C2)O
InChI
InChI=1S/C22H31NO2/c1-2-3-14-23-17-21(24)18-25-22(15-19-10-6-4-7-11-19)16-20-12-8-5-9-13-20/h4-13,21-24H,2-3,14-18H2,1H3
InChIKey
ABWAZEPRDINCBC-UHFFFAOYSA-N
Compound name
1-(butylamino)-3-(1,3-diphenylpropan-2-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.23547 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.24275 187.5
[M+Na]+ 364.22469 188.4
[M-H]- 340.22819 190.7
[M+NH4]+ 359.26929 199.0
[M+K]+ 380.19863 183.8
[M+H-H2O]+ 324.23273 178.2
[M+HCOO]- 386.23367 207.0
[M+CH3COO]- 400.24932 213.9
[M+Na-2H]- 362.21014 188.6
[M]+ 341.23492 188.2
[M]- 341.23602 188.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.