CID 3049632

16,17-dinoremetan, 1',2'-didehydro-1-methyl-6',7',10,11-tetramethoxy-, dihydrochloride, (1-alpha,2-alpha)-(+-)-

Structural Information

Molecular Formula
C28H36N2O4
SMILES
C[C@H]1[C@H](CCN2[C@@H]1C3=CC(=C(C=C3CC2)OC)OC)CC4=NCCC5=CC(=C(C=C54)OC)OC
InChI
InChI=1S/C28H36N2O4/c1-17-18(12-23-21-15-26(33-4)24(31-2)13-19(21)6-9-29-23)7-10-30-11-8-20-14-25(32-3)27(34-5)16-22(20)28(17)30/h13-18,28H,6-12H2,1-5H3/t17-,18+,28-/m0/s1
InChIKey
YEQPFJKVDXCRHJ-IYFHLELXSA-N
Compound name
(1S,2R,11bS)-2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-9,10-dimethoxy-1-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.26752 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.27480 219.5
[M+Na]+ 487.25674 234.2
[M+NH4]+ 482.30134 227.2
[M+K]+ 503.23068 224.6
[M-H]- 463.26024 224.6
[M+Na-2H]- 485.24219 222.4
[M]+ 464.26697 223.2
[M]- 464.26807 223.2
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.