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]+ 292.19072 170.3
[M+Na]+ 314.17266 175.0
[M-H]- 290.17616 173.9
[M+NH4]+ 309.21726 186.5
[M+K]+ 330.14660 171.7
[M+H-H2O]+ 274.18070 161.9
[M+HCOO]- 336.18164 183.9
[M+CH3COO]- 350.19729 199.8
[M+Na-2H]- 312.15811 173.4
[M]+ 291.18289 166.4
[M]- 291.18399 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.