CID 3048060

3-butyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2h-benzo(a)quinolizin-2-ol hydrochloride

Structural Information

Molecular Formula
C19H29NO3
SMILES
CCCCC1CN2CCC3=CC(=C(C=C3C2CC1O)OC)OC
InChI
InChI=1S/C19H29NO3/c1-4-5-6-14-12-20-8-7-13-9-18(22-2)19(23-3)10-15(13)16(20)11-17(14)21/h9-10,14,16-17,21H,4-8,11-12H2,1-3H3
InChIKey
NFMGJPQXTFCOOK-UHFFFAOYSA-N
Compound name
3-butyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.21475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.22203 178.4
[M+Na]+ 342.20397 190.3
[M+NH4]+ 337.24857 186.5
[M+K]+ 358.17791 182.6
[M-H]- 318.20747 180.5
[M+Na-2H]- 340.18942 180.4
[M]+ 319.21420 180.6
[M]- 319.21530 180.6
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.