CID 3086982

Cis-2,3,4,4a,5,6,11,11a-octahydro-2-ethyl-1h-pyrido(4,3-b)carbazole (e)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C17H22N2
SMILES
CCN1CC[C@@H]2CC3=C(C[C@@H]2C1)C4=CC=CC=C4N3
InChI
InChI=1S/C17H22N2/c1-2-19-8-7-12-10-17-15(9-13(12)11-19)14-5-3-4-6-16(14)18-17/h3-6,12-13,18H,2,7-11H2,1H3/t12-,13-/m1/s1
InChIKey
OFPVHEBDBWARHX-CHWSQXEVSA-N
Compound name
(4aR,11aS)-2-ethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1783 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.18558 161.1
[M+Na]+ 277.16752 174.8
[M+NH4]+ 272.21212 171.5
[M+K]+ 293.14146 167.5
[M-H]- 253.17102 164.3
[M+Na-2H]- 275.15297 165.2
[M]+ 254.17775 164.0
[M]- 254.17885 164.0
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.