CID 150508

Dtxsid70912984

Structural Information

Molecular Formula
C19H21N3
SMILES
C[C@@H]1CC2[C@@H](CC3=CN(C4=CC=CC2=C34)CC=C)N(C1)C#N
InChI
InChI=1S/C19H21N3/c1-3-7-21-11-14-9-18-16(8-13(2)10-22(18)12-20)15-5-4-6-17(21)19(14)15/h3-6,11,13,16,18H,1,7-10H2,2H3/t13-,16?,18-/m1/s1
InChIKey
ADCDISFHDLKFFS-DQYPLQBXSA-N
Compound name
(6aR,9R)-9-methyl-4-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.17355 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.180826 171.3
[M+Na]+ 314.162768 182.8
[M-H]- 290.166274 172.5
[M+NH4]+ 309.207373 187.7
[M+K]+ 330.136708 171.7
[M+H-H2O]+ 274.170810 156.6
[M+HCOO]- 336.171751 182.8
[M+CH3COO]- 350.187401 180.2
[M+Na-2H]- 312.148216 173.4
[M]+ 291.17300142 165.9
[M]- 291.17409858 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.