CID 114408

Lu-3-049 hydrochloride

Structural Information

Molecular Formula
C21H27N
SMILES
CC1(CC(C2=CC=CC=C21)(CCCNC)C3=CC=CC=C3)C
InChI
InChI=1S/C21H27N/c1-20(2)16-21(14-9-15-22-3,17-10-5-4-6-11-17)19-13-8-7-12-18(19)20/h4-8,10-13,22H,9,14-16H2,1-3H3
InChIKey
WIHSDUPAYPXRSA-UHFFFAOYSA-N
Compound name
3-(3,3-dimethyl-1-phenyl-2H-inden-1-yl)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

36
Patents

293.21436 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.22164 173.0
[M+Na]+ 316.20358 186.3
[M+NH4]+ 311.24818 185.8
[M+K]+ 332.17752 174.3
[M-H]- 292.20708 179.2
[M+Na-2H]- 314.18903 183.7
[M]+ 293.21381 177.2
[M]- 293.21491 177.2
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

patents stripe