CID 3086982

112853-68-6

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]+ 255.185576 160.2
[M+Na]+ 277.167518 167.5
[M-H]- 253.171024 161.6
[M+NH4]+ 272.212123 178.8
[M+K]+ 293.141458 160.6
[M+H-H2O]+ 237.175560 151.9
[M+HCOO]- 299.176501 173.7
[M+CH3COO]- 313.192151 170.4
[M+Na-2H]- 275.152966 164.3
[M]+ 254.17775142 155.8
[M]- 254.17884858 155.8
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.