CID 28842

5h-cyclohept(b)indole, 5,6,7,8,9,10-hexahydro-5-(2-(diethylamino)ethyl)-, fumarate (1:1)

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]+ 285.232526 169.1
[M+Na]+ 307.214468 174.1
[M-H]- 283.217974 175.0
[M+NH4]+ 302.259073 187.0
[M+K]+ 323.188408 173.1
[M+H-H2O]+ 267.222510 162.0
[M+HCOO]- 329.223451 189.0
[M+CH3COO]- 343.239101 179.7
[M+Na-2H]- 305.199916 172.3
[M]+ 284.22470142 168.0
[M]- 284.22579858 168.0
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.