CID 6444654

Indene-3-ethylamine, 1-benzylidene-n,n-diethyl-, 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]+ 304.205976 176.9
[M+Na]+ 326.187918 182.8
[M-H]- 302.191424 185.2
[M+NH4]+ 321.232523 195.1
[M+K]+ 342.161858 177.1
[M+H-H2O]+ 286.195960 168.5
[M+HCOO]- 348.196901 200.8
[M+CH3COO]- 362.212551 212.5
[M+Na-2H]- 324.173366 179.0
[M]+ 303.19815142 178.7
[M]- 303.19924858 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.