CID 205464

1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2-thio-2h-benzo(a)quinolizine hcl

Structural Information

Molecular Formula
C19H27NO2S
SMILES
CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=S)OC)OC
InChI
InChI=1S/C19H27NO2S/c1-12(2)7-14-11-20-6-5-13-8-17(21-3)18(22-4)9-15(13)16(20)10-19(14)23/h8-9,12,14,16H,5-7,10-11H2,1-4H3
InChIKey
NLHRDBWYJRBLFQ-UHFFFAOYSA-N
Compound name
9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.17624 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.18352 179.0
[M+Na]+ 356.16546 190.9
[M+NH4]+ 351.21006 187.9
[M+K]+ 372.13940 181.2
[M-H]- 332.16896 181.8
[M+Na-2H]- 354.15091 181.3
[M]+ 333.17569 182.0
[M]- 333.17679 182.0
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.