CID 90657128

2-[(11bs)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1h-benzo[a]quinolizin-2-yl]acetaldehyde

Structural Information

Molecular Formula
C19H27NO3
SMILES
CCC1CN2CCC3=CC(=C(C=C3[C@@H]2CC1CC=O)OC)OC
InChI
InChI=1S/C19H27NO3/c1-4-13-12-20-7-5-15-10-18(22-2)19(23-3)11-16(15)17(20)9-14(13)6-8-21/h8,10-11,13-14,17H,4-7,9,12H2,1-3H3/t13?,14?,17-/m0/s1
InChIKey
BBVFHYCHEWCGBH-KVULBXGLSA-N
Compound name
2-[(11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]acetaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

317.1991 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.20638 177.1
[M+Na]+ 340.18832 189.6
[M+NH4]+ 335.23292 185.3
[M+K]+ 356.16226 181.5
[M-H]- 316.19182 179.5
[M+Na-2H]- 338.17377 179.6
[M]+ 317.19855 179.5
[M]- 317.19965 179.5
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.