CID 205466

18065-92-4

Structural Information

Molecular Formula
C20H28N2O3S
SMILES
CCN(CC)C(=O)C1CN2CCC3=CC(=C(C=C3C2CC1=S)OC)OC
InChI
InChI=1S/C20H28N2O3S/c1-5-21(6-2)20(23)15-12-22-8-7-13-9-17(24-3)18(25-4)10-14(13)16(22)11-19(15)26/h9-10,15-16H,5-8,11-12H2,1-4H3
InChIKey
STMBFXPMZJCEEG-UHFFFAOYSA-N
Compound name
N,N-diethyl-9,10-dimethoxy-2-sulfanylidene-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

376.18207 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.18935 187.9
[M+Na]+ 399.17129 192.5
[M-H]- 375.17479 191.5
[M+NH4]+ 394.21589 201.6
[M+K]+ 415.14523 189.2
[M+H-H2O]+ 359.17933 179.8
[M+HCOO]- 421.18027 197.3
[M+CH3COO]- 435.19592 226.1
[M+Na-2H]- 397.15674 186.4
[M]+ 376.18152 191.0
[M]- 376.18262 191.0
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.