CID 3068501

3,4,5,6-tetrahydro-n,n-dipropyl-1h-cyclohept(cd)indol-5-amine (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C18H26N2
SMILES
CCCN(CCC)C1CCC2=CNC3=CC=CC(=C23)C1
InChI
InChI=1S/C18H26N2/c1-3-10-20(11-4-2)16-9-8-15-13-19-17-7-5-6-14(12-16)18(15)17/h5-7,13,16,19H,3-4,8-12H2,1-2H3
InChIKey
ALZWKYMNOLCIDC-UHFFFAOYSA-N
Compound name
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

270.2096 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.21688 162.1
[M+Na]+ 293.19882 171.9
[M+NH4]+ 288.24342 170.6
[M+K]+ 309.17276 167.0
[M-H]- 269.20232 164.7
[M+Na-2H]- 291.18427 166.4
[M]+ 270.20905 164.2
[M]- 270.21015 164.2
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.