CID 201269

1-(isopropylamino)-3-((alpha-phenyl-o-tolyl)oxy)-2-propanol hydrochloride

Structural Information

Molecular Formula
C19H25NO2
SMILES
CC(C)NCC(COC1=CC=CC=C1CC2=CC=CC=C2)O
InChI
InChI=1S/C19H25NO2/c1-15(2)20-13-18(21)14-22-19-11-7-6-10-17(19)12-16-8-4-3-5-9-16/h3-11,15,18,20-21H,12-14H2,1-2H3
InChIKey
GGFZYHCASCZOFB-UHFFFAOYSA-N
Compound name
1-(2-benzylphenoxy)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

299.18854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.19582 174.0
[M+Na]+ 322.17776 177.3
[M-H]- 298.18126 178.4
[M+NH4]+ 317.22236 187.7
[M+K]+ 338.15170 173.5
[M+H-H2O]+ 282.18580 165.6
[M+HCOO]- 344.18674 194.6
[M+CH3COO]- 358.20239 206.3
[M+Na-2H]- 320.16321 176.1
[M]+ 299.18799 174.2
[M]- 299.18909 174.2
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.