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 185.9
[M+Na]+ 362.20904 188.0
[M-H]- 338.21254 192.0
[M+NH4]+ 357.25364 201.1
[M+K]+ 378.18298 184.6
[M+H-H2O]+ 322.21708 177.5
[M+HCOO]- 384.21802 205.0
[M+CH3COO]- 398.23367 216.3
[M+Na-2H]- 360.19449 185.2
[M]+ 339.21927 186.4
[M]- 339.22037 186.4
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.