CID 371184

Matadine

Structural Information

Molecular Formula
C19H20N2O
SMILES
C=CC(CO)[C@H]1CCN2C=CC3=C4C=CC=CC4=NC3=C2C1
InChI
InChI=1S/C19H20N2O/c1-2-13(12-22)14-7-9-21-10-8-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14/h2-6,8,10,13-14,22H,1,7,9,11-12H2/t13?,14-/m0/s1
InChIKey
HSOFUAXGWCETKK-KZUDCZAMSA-N
Compound name
2-[(2S)-1,2,3,4-tetrahydroindolo[2,3-a]quinolizin-2-yl]but-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

292.15756 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 169.9
[M+Na]+ 315.14678 184.2
[M+NH4]+ 310.19138 179.1
[M+K]+ 331.12072 177.2
[M-H]- 291.15028 172.5
[M+Na-2H]- 313.13223 174.3
[M]+ 292.15701 172.7
[M]- 292.15811 172.7
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