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]+ 285.23253 169.1
[M+Na]+ 307.21447 174.1
[M-H]- 283.21797 175.0
[M+NH4]+ 302.25907 187.0
[M+K]+ 323.18841 173.1
[M+H-H2O]+ 267.22251 162.0
[M+HCOO]- 329.22345 189.0
[M+CH3COO]- 343.23910 179.7
[M+Na-2H]- 305.19992 172.3
[M]+ 284.22470 168.0
[M]- 284.22580 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.