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

3
Patents

319.21475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.222026 178.8
[M+Na]+ 342.203968 184.2
[M-H]- 318.207474 180.2
[M+NH4]+ 337.248573 193.7
[M+K]+ 358.177908 180.1
[M+H-H2O]+ 302.212010 170.7
[M+HCOO]- 364.212951 191.3
[M+CH3COO]- 378.228601 210.1
[M+Na-2H]- 340.189416 180.0
[M]+ 319.21420142 178.7
[M]- 319.21529858 178.7
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

patents stripe