CID 205470

18065-96-8

Structural Information

Molecular Formula
C23H37NO3S2
SMILES
CCC1C(N2CC(C(=O)CC2C3(C1(C=C(C(=C3)OC)OC)S)S)CC(C)C)CC
InChI
InChI=1S/C23H37NO3S2/c1-7-16-17(8-2)24-13-15(9-14(3)4)18(25)10-21(24)23(29)12-20(27-6)19(26-5)11-22(16,23)28/h11-12,14-17,21,28-29H,7-10,13H2,1-6H3
InChIKey
AGUDVMMCPFWQOM-UHFFFAOYSA-N
Compound name
6,7-diethyl-9,10-dimethoxy-3-(2-methylpropyl)-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

439.2215 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.22878 194.9
[M+Na]+ 462.21072 200.0
[M-H]- 438.21422 195.8
[M+NH4]+ 457.25532 210.1
[M+K]+ 478.18466 195.7
[M+H-H2O]+ 422.21876 189.1
[M+HCOO]- 484.21970 194.5
[M+CH3COO]- 498.23535 233.6
[M+Na-2H]- 460.19617 193.5
[M]+ 439.22095 200.7
[M]- 439.22205 200.7
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.