CID 3038433

39630-39-2

Structural Information

Molecular Formula
C16H24N2O2
SMILES
C[C@@H]1CN2CCC3=CC(=C(C=C3[C@H]2C[C@@H]1N)OC)OC
InChI
InChI=1S/C16H24N2O2/c1-10-9-18-5-4-11-6-15(19-2)16(20-3)7-12(11)14(18)8-13(10)17/h6-7,10,13-14H,4-5,8-9,17H2,1-3H3/t10-,13+,14-/m1/s1
InChIKey
KOFFSNPIPMAPHF-DDTOSNHZSA-N
Compound name
(2S,3R,11bR)-9,10-dimethoxy-3-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 165.9
[M+Na]+ 299.17300 172.5
[M-H]- 275.17650 168.7
[M+NH4]+ 294.21760 182.8
[M+K]+ 315.14694 168.8
[M+H-H2O]+ 259.18104 158.1
[M+HCOO]- 321.18198 181.2
[M+CH3COO]- 335.19763 206.0
[M+Na-2H]- 297.15845 168.5
[M]+ 276.18323 163.6
[M]- 276.18433 163.6
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.