CID 205472

18065-97-9

Structural Information

Molecular Formula
C24H38N2O3S2
SMILES
CCN(CC)C(=O)C1CN2CCC3=CC(=C(C=C3C2CC1(SCC)SCC)OC)OC
InChI
InChI=1S/C24H38N2O3S2/c1-7-25(8-2)23(27)19-16-26-12-11-17-13-21(28-5)22(29-6)14-18(17)20(26)15-24(19,30-9-3)31-10-4/h13-14,19-20H,7-12,15-16H2,1-6H3
InChIKey
VMRZMIIXLDRPDT-UHFFFAOYSA-N
Compound name
N,N-diethyl-2,2-bis(ethylsulfanyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.2324 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.23968 205.7
[M+Na]+ 489.22162 208.3
[M-H]- 465.22512 207.3
[M+NH4]+ 484.26622 217.7
[M+K]+ 505.19556 204.3
[M+H-H2O]+ 449.22966 198.0
[M+HCOO]- 511.23060 208.0
[M+CH3COO]- 525.24625 241.4
[M+Na-2H]- 487.20707 204.2
[M]+ 466.23185 212.2
[M]- 466.23295 212.2
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.