CID 71301276

Orm-12741

Structural Information

Molecular Formula
C18H23NO2
SMILES
C[C@@]1(CCCN2[C@@H]1C3=C(CC2)C4=CC=CC=C4O3)COC
InChI
InChI=1S/C18H23NO2/c1-18(12-20-2)9-5-10-19-11-8-14-13-6-3-4-7-15(13)21-16(14)17(18)19/h3-4,6-7,17H,5,8-12H2,1-2H3/t17-,18-/m1/s1
InChIKey
OCUKPFWNSAAHRP-QZTJIDSGSA-N
Compound name
(1S,12bS)-1-(methoxymethyl)-1-methyl-2,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

141
Patents

285.17288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.180156 166.6
[M+Na]+ 308.162098 174.9
[M-H]- 284.165604 171.6
[M+NH4]+ 303.206703 186.7
[M+K]+ 324.136038 171.0
[M+H-H2O]+ 268.170140 158.6
[M+HCOO]- 330.171081 181.9
[M+CH3COO]- 344.186731 178.0
[M+Na-2H]- 306.147546 172.2
[M]+ 285.17233142 167.4
[M]- 285.17342858 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe