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 166.4
[M+Na]+ 293.19882 171.4
[M-H]- 269.20232 170.7
[M+NH4]+ 288.24342 184.5
[M+K]+ 309.17276 170.0
[M+H-H2O]+ 253.20686 159.9
[M+HCOO]- 315.20780 185.3
[M+CH3COO]- 329.22345 176.8
[M+Na-2H]- 291.18427 170.1
[M]+ 270.20905 165.1
[M]- 270.21015 165.1
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.