CID 217812

39630-40-5

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CC(C)C[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@H]1N)OC)OC
InChI
InChI=1S/C19H30N2O2/c1-12(2)7-14-11-21-6-5-13-8-18(22-3)19(23-4)9-15(13)17(21)10-16(14)20/h8-9,12,14,16-17H,5-7,10-11,20H2,1-4H3/t14-,16+,17-/m0/s1
InChIKey
HTTGVFNTQCNCHU-UAGQMJEPSA-N
Compound name
(2R,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-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

318.23074 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.23802 179.7
[M+Na]+ 341.21996 184.6
[M-H]- 317.22346 182.0
[M+NH4]+ 336.26456 194.7
[M+K]+ 357.19390 180.9
[M+H-H2O]+ 301.22800 171.5
[M+HCOO]- 363.22894 192.9
[M+CH3COO]- 377.24459 215.9
[M+Na-2H]- 339.20541 179.5
[M]+ 318.23019 177.7
[M]- 318.23129 177.7
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.