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]+ 285.23253 170.8
[M+Na]+ 307.21447 176.7
[M-H]- 283.21797 176.5
[M+NH4]+ 302.25907 189.4
[M+K]+ 323.18841 175.8
[M+H-H2O]+ 267.22251 164.1
[M+HCOO]- 329.22345 190.7
[M+CH3COO]- 343.23910 181.8
[M+Na-2H]- 305.19992 173.7
[M]+ 284.22470 171.9
[M]- 284.22580 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.