CID 150508

1-allyl-6-cyano-6-norfestuclavine

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]+ 292.18083 175.6
[M+Na]+ 314.16277 189.0
[M+NH4]+ 309.20737 181.5
[M+K]+ 330.13671 178.1
[M-H]- 290.16627 170.7
[M+Na-2H]- 312.14822 175.6
[M]+ 291.17300 175.4
[M]- 291.17410 175.4
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.