CID 3047554

6-norfestuclavine

Structural Information

Molecular Formula
C15H18N2
SMILES
C[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)NC1
InChI
InChI=1S/C15H18N2/c1-9-5-12-11-3-2-4-13-15(11)10(8-17-13)6-14(12)16-7-9/h2-4,8-9,12,14,16-17H,5-7H2,1H3/t9-,12?,14-/m1/s1
InChIKey
ZYACKOKSHZQYDS-JTKGGMDMSA-N
Compound name
(6aR,9R)-9-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

226.147 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.15428 151.4
[M+Na]+ 249.13622 159.2
[M-H]- 225.13972 151.3
[M+NH4]+ 244.18082 170.9
[M+K]+ 265.11016 152.1
[M+H-H2O]+ 209.14426 144.0
[M+HCOO]- 271.14520 164.2
[M+CH3COO]- 285.16085 161.8
[M+Na-2H]- 247.12167 156.7
[M]+ 226.14645 146.5
[M]- 226.14755 146.5
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

patents stripe