CID 205907

1-(4-biphenylyloxy)-3-(isopropylamino)-2-propanol hydrochloride

Structural Information

Molecular Formula
C18H23NO2
SMILES
CC(C)NCC(COC1=CC=C(C=C1)C2=CC=CC=C2)O
InChI
InChI=1S/C18H23NO2/c1-14(2)19-12-17(20)13-21-18-10-8-16(9-11-18)15-6-4-3-5-7-15/h3-11,14,17,19-20H,12-13H2,1-2H3
InChIKey
YBTGLLRMGKEQCC-UHFFFAOYSA-N
Compound name
1-(4-phenylphenoxy)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

285.17288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 169.5
[M+Na]+ 308.16210 173.2
[M-H]- 284.16560 174.0
[M+NH4]+ 303.20670 183.7
[M+K]+ 324.13604 169.6
[M+H-H2O]+ 268.17014 161.3
[M+HCOO]- 330.17108 190.4
[M+CH3COO]- 344.18673 203.3
[M+Na-2H]- 306.14755 172.1
[M]+ 285.17233 169.3
[M]- 285.17343 169.3
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.