CID 150507

6-cyano-1-propyl-6-norfestuclavine

Structural Information

Molecular Formula
C19H23N3
SMILES
CCCN1C=C2C[C@@H]3C(C[C@H](CN3C#N)C)C4=C2C1=CC=C4
InChI
InChI=1S/C19H23N3/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/h4-6,11,13,16,18H,3,7-10H2,1-2H3/t13-,16?,18-/m1/s1
InChIKey
SSHXAWUVFBJJMN-DQYPLQBXSA-N
Compound name
(6aR,9R)-9-methyl-4-propyl-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

293.1892 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.19648 175.8
[M+Na]+ 316.17842 189.1
[M+NH4]+ 311.22302 181.9
[M+K]+ 332.15236 178.3
[M-H]- 292.18192 171.2
[M+Na-2H]- 314.16387 175.9
[M]+ 293.18865 175.7
[M]- 293.18975 175.7
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.