CID 3040898

2h-quinolizin-3-equatorial-ol, octahydro-3-axial-(3,4-dimethoxyphenyl)-

Structural Information

Molecular Formula
C17H25NO3
SMILES
COC1=C(C=C(C=C1)[C@@]2(CC[C@@H]3CCCCN3C2)O)OC
InChI
InChI=1S/C17H25NO3/c1-20-15-7-6-13(11-16(15)21-2)17(19)9-8-14-5-3-4-10-18(14)12-17/h6-7,11,14,19H,3-5,8-10,12H2,1-2H3/t14-,17-/m0/s1
InChIKey
DXAWRKFPZFDERD-YOEHRIQHSA-N
Compound name
(3R,9aS)-3-(3,4-dimethoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.18344 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.190716 170.3
[M+Na]+ 314.172658 175.0
[M-H]- 290.176164 173.9
[M+NH4]+ 309.217263 186.5
[M+K]+ 330.146598 171.7
[M+H-H2O]+ 274.180700 161.9
[M+HCOO]- 336.181641 183.9
[M+CH3COO]- 350.197291 199.8
[M+Na-2H]- 312.158106 173.4
[M]+ 291.18289142 166.4
[M]- 291.18398858 166.4
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.