CID 332915

Festuclavine

Structural Information

Molecular Formula
C16H20N2
SMILES
C[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C
InChI
InChI=1S/C16H20N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,8,10,13,15,17H,6-7,9H2,1-2H3/t10-,13-,15-/m1/s1
InChIKey
VLMZMRDOMOGGFA-WDBKCZKBSA-N
Compound name
(6aR,9R,10aR)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

15
References

325
Patents

240.16264 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.169916 156.8
[M+Na]+ 263.151858 165.4
[M-H]- 239.155364 158.2
[M+NH4]+ 258.196463 176.7
[M+K]+ 279.125798 158.9
[M+H-H2O]+ 223.159900 149.1
[M+HCOO]- 285.160841 170.7
[M+CH3COO]- 299.176491 167.8
[M+Na-2H]- 261.137306 161.2
[M]+ 240.16209142 154.4
[M]- 240.16318858 154.4
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

patents stripe