CID 3035144

26987-99-5

Structural Information

Molecular Formula
C32H46N2O5
SMILES
CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4CC(C)O)OC)OC)OC)OC
InChI
InChI=1S/C32H46N2O5/c1-7-21-19-34-11-9-23-15-30(37-4)32(39-6)17-26(23)28(34)13-24(21)12-27-25-16-31(38-5)29(36-3)14-22(25)8-10-33(27)18-20(2)35/h14-17,20-21,24,27-28,35H,7-13,18-19H2,1-6H3/t20?,21-,24-,27+,28-/m0/s1
InChIKey
NZTLGTJVBWTMQT-IRXVJEBJSA-N
Compound name
1-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.3407 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.34798 239.7
[M+Na]+ 561.32992 251.4
[M+NH4]+ 556.37452 245.6
[M+K]+ 577.30386 243.2
[M-H]- 537.33342 243.3
[M+Na-2H]- 559.31537 239.2
[M]+ 538.34015 242.3
[M]- 538.34125 242.3
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.