CID 3051474

1-(4-indanyloxy)-3-(n-methyl-n-(alpha-methylphenethyl)amino)-2-propanol

Structural Information

Molecular Formula
C22H29NO2
SMILES
CC(CC1=CC=CC=C1)N(C)CC(COC2=CC=CC3=C2CCC3)O
InChI
InChI=1S/C22H29NO2/c1-17(14-18-8-4-3-5-9-18)23(2)15-20(24)16-25-22-13-7-11-19-10-6-12-21(19)22/h3-5,7-9,11,13,17,20,24H,6,10,12,14-16H2,1-2H3
InChIKey
QDVKELKCZRMPGH-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-4-yloxy)-3-[methyl(1-phenylpropan-2-yl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21982 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 185.2
[M+Na]+ 362.20904 195.5
[M+NH4]+ 357.25364 193.4
[M+K]+ 378.18298 190.0
[M-H]- 338.21254 189.8
[M+Na-2H]- 360.19449 191.0
[M]+ 339.21927 187.9
[M]- 339.22037 187.9
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.