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 178.8
[M+Na]+ 342.20397 184.2
[M-H]- 318.20747 180.2
[M+NH4]+ 337.24857 193.7
[M+K]+ 358.17791 180.1
[M+H-H2O]+ 302.21201 170.7
[M+HCOO]- 364.21295 191.3
[M+CH3COO]- 378.22860 210.1
[M+Na-2H]- 340.18942 180.0
[M]+ 319.21420 178.7
[M]- 319.21530 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