CID 205476

18065-99-1

Structural Information

Molecular Formula
C25H37NO3S2
SMILES
CC(C)CC1CN2C(CC1=O)C3(C=C(C(=CC3(C(C2CC=C)CC=C)S)OC)OC)S
InChI
InChI=1S/C25H37NO3S2/c1-7-9-18-19(10-8-2)26-15-17(11-16(3)4)20(27)12-23(26)25(31)14-22(29-6)21(28-5)13-24(18,25)30/h7-8,13-14,16-19,23,30-31H,1-2,9-12,15H2,3-6H3
InChIKey
JARNUHJTHSIVFU-UHFFFAOYSA-N
Compound name
9,10-dimethoxy-3-(2-methylpropyl)-6,7-bis(prop-2-enyl)-7a,11a-bis(sulfanyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.2215 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.22878 210.1
[M+Na]+ 486.21072 219.1
[M+NH4]+ 481.25532 219.5
[M+K]+ 502.18466 204.5
[M-H]- 462.21422 211.1
[M+Na-2H]- 484.19617 212.5
[M]+ 463.22095 212.9
[M]- 463.22205 212.9
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.