CID 204005

15565-23-8

Structural Information

Molecular Formula
C21H33NO2S2
SMILES
CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1(SC)SC)OC)OC
InChI
InChI=1S/C21H33NO2S2/c1-14(2)9-16-13-22-8-7-15-10-19(23-3)20(24-4)11-17(15)18(22)12-21(16,25-5)26-6/h10-11,14,16,18H,7-9,12-13H2,1-6H3
InChIKey
WLONIVDYIHGIPZ-UHFFFAOYSA-N
Compound name
9,10-dimethoxy-3-(2-methylpropyl)-2,2-bis(methylsulfanyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.19528 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.20256 190.9
[M+Na]+ 418.18450 201.5
[M+NH4]+ 413.22910 201.2
[M+K]+ 434.15844 188.4
[M-H]- 394.18800 193.7
[M+Na-2H]- 416.16995 194.3
[M]+ 395.19473 194.5
[M]- 395.19583 194.5
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

No patent data available for this compound.