CID 3048813

2,3-dihydro-alpha-(1-((1-methyl-4-phenylbutyl)amino)ethyl)-1h-indenemethanol hydrochloride

Structural Information

Molecular Formula
C23H31NO
SMILES
CC(CCCC1=CC=CC=C1)NC(C)C(C2=CC3=C(CCC3)C=C2)O
InChI
InChI=1S/C23H31NO/c1-17(8-6-11-19-9-4-3-5-10-19)24-18(2)23(25)22-15-14-20-12-7-13-21(20)16-22/h3-5,9-10,14-18,23-25H,6-8,11-13H2,1-2H3
InChIKey
CRLBBXUZTVINQT-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-5-yl)-2-(5-phenylpentan-2-ylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.24057 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24785 187.2
[M+Na]+ 360.22979 197.3
[M+NH4]+ 355.27439 195.5
[M+K]+ 376.20373 191.2
[M-H]- 336.23329 191.7
[M+Na-2H]- 358.21524 192.5
[M]+ 337.24002 189.8
[M]- 337.24112 189.8
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.