CID 3068502

3,4,5,6-tetrahydro-1-methyl-n,n-dipropyl-1h-cyclohept(cd)indol-5-amine

Structural Information

Molecular Formula
C19H28N2
SMILES
CCCN(CCC)C1CCC2=CN(C3=CC=CC(=C23)C1)C
InChI
InChI=1S/C19H28N2/c1-4-11-21(12-5-2)17-10-9-16-14-20(3)18-8-6-7-15(13-17)19(16)18/h6-8,14,17H,4-5,9-13H2,1-3H3
InChIKey
FKJONHGFXACAFS-UHFFFAOYSA-N
Compound name
3-methyl-N,N-dipropyl-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-amine
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 170.8
[M+Na]+ 307.214468 176.7
[M-H]- 283.217974 176.5
[M+NH4]+ 302.259073 189.4
[M+K]+ 323.188408 175.8
[M+H-H2O]+ 267.222510 164.1
[M+HCOO]- 329.223451 190.7
[M+CH3COO]- 343.239101 181.8
[M+Na-2H]- 305.199916 173.7
[M]+ 284.22470142 171.9
[M]- 284.22579858 171.9
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.