CID 28842

5,6,7,8,9,10-hexahydro-5-(2-(diethylamino)ethyl)-5h-cyclohept(b)indole fumarate

Structural Information

Molecular Formula
C19H28N2
SMILES
CCN(CC)CCN1C2=C(CCCCC2)C3=CC=CC=C31
InChI
InChI=1S/C19H28N2/c1-3-20(4-2)14-15-21-18-12-7-5-6-10-16(18)17-11-8-9-13-19(17)21/h8-9,11,13H,3-7,10,12,14-15H2,1-2H3
InChIKey
TYFLXYBLGFQOPK-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.22525 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.23253 168.0
[M+Na]+ 307.21447 178.1
[M+NH4]+ 302.25907 176.7
[M+K]+ 323.18841 172.7
[M-H]- 283.21797 171.5
[M+Na-2H]- 305.19992 173.0
[M]+ 284.22470 170.5
[M]- 284.22580 170.5
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.