CID 205468

18065-95-7

Structural Information

Molecular Formula
C22H34N2O3S2
SMILES
CCN(CC)C(=O)C1CN2CCC3=CC(=C(C=C3C2CC1(SC)SC)OC)OC
InChI
InChI=1S/C22H34N2O3S2/c1-7-23(8-2)21(25)17-14-24-10-9-15-11-19(26-3)20(27-4)12-16(15)18(24)13-22(17,28-5)29-6/h11-12,17-18H,7-10,13-14H2,1-6H3
InChIKey
VPPVOYIZAWLIEW-UHFFFAOYSA-N
Compound name
N,N-diethyl-9,10-dimethoxy-2,2-bis(methylsulfanyl)-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

438.20108 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.20836 197.7
[M+Na]+ 461.19030 201.3
[M-H]- 437.19380 199.8
[M+NH4]+ 456.23490 210.9
[M+K]+ 477.16424 197.6
[M+H-H2O]+ 421.19834 190.4
[M+HCOO]- 483.19928 200.6
[M+CH3COO]- 497.21493 235.7
[M+Na-2H]- 459.17575 197.1
[M]+ 438.20053 203.6
[M]- 438.20163 203.6
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.