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]+ 318.206376 177.1
[M+Na]+ 340.188318 183.3
[M-H]- 316.191824 179.9
[M+NH4]+ 335.232923 192.6
[M+K]+ 356.162258 179.3
[M+H-H2O]+ 300.196360 168.7
[M+HCOO]- 362.197301 191.3
[M+CH3COO]- 376.212951 211.8
[M+Na-2H]- 338.173766 178.7
[M]+ 317.19855142 178.1
[M]- 317.19964858 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.