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 183.3
[M-H]- 316.19182 179.9
[M+NH4]+ 335.23292 192.6
[M+K]+ 356.16226 179.3
[M+H-H2O]+ 300.19636 168.7
[M+HCOO]- 362.19730 191.3
[M+CH3COO]- 376.21295 211.8
[M+Na-2H]- 338.17377 178.7
[M]+ 317.19855 178.1
[M]- 317.19965 178.1
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.