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 176.9
[M+Na]+ 326.18792 182.8
[M-H]- 302.19142 185.2
[M+NH4]+ 321.23252 195.1
[M+K]+ 342.16186 177.1
[M+H-H2O]+ 286.19596 168.5
[M+HCOO]- 348.19690 200.8
[M+CH3COO]- 362.21255 212.5
[M+Na-2H]- 324.17337 179.0
[M]+ 303.19815 178.7
[M]- 303.19925 178.7
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.