CID 6444654

1-benzyl-3-(2-diethylaminoethyl)indene hydrochloride

Structural Information

Molecular Formula
C22H25N
SMILES
CCN(CC)CCC1=C/C(=C/C2=CC=CC=C2)/C3=CC=CC=C31
InChI
InChI=1S/C22H25N/c1-3-23(4-2)15-14-19-17-20(16-18-10-6-5-7-11-18)22-13-9-8-12-21(19)22/h5-13,16-17H,3-4,14-15H2,1-2H3/b20-16-
InChIKey
KKEYBYCGTHCWGQ-SILNSSARSA-N
Compound name
2-[(3Z)-3-benzylideneinden-1-yl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1987 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.20598 177.1
[M+Na]+ 326.18792 191.1
[M+NH4]+ 321.23252 186.9
[M+K]+ 342.16186 182.4
[M-H]- 302.19142 183.6
[M+Na-2H]- 324.17337 185.6
[M]+ 303.19815 181.1
[M]- 303.19925 181.1
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.