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 171.2
[M+Na]+ 316.17842 182.4
[M-H]- 292.18192 172.3
[M+NH4]+ 311.22302 187.5
[M+K]+ 332.15236 171.9
[M+H-H2O]+ 276.18646 156.4
[M+HCOO]- 338.18740 182.5
[M+CH3COO]- 352.20305 180.1
[M+Na-2H]- 314.16387 173.3
[M]+ 293.18865 166.4
[M]- 293.18975 166.4
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.