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 187.9
[M+Na]+ 418.18450 192.9
[M-H]- 394.18800 189.3
[M+NH4]+ 413.22910 203.0
[M+K]+ 434.15844 188.1
[M+H-H2O]+ 378.19254 181.2
[M+HCOO]- 440.19348 189.6
[M+CH3COO]- 454.20913 224.1
[M+Na-2H]- 416.16995 186.8
[M]+ 395.19473 192.3
[M]- 395.19583 192.3
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.