CID 43633

Aporphine-10,11-diyl methoxyacetate tartrate

Structural Information

Molecular Formula
C23H25NO6
SMILES
CN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)OC(=O)COC)OC(=O)COC
InChI
InChI=1S/C23H25NO6/c1-24-10-9-14-5-4-6-16-21(14)17(24)11-15-7-8-18(29-19(25)12-27-2)23(22(15)16)30-20(26)13-28-3/h4-8,17H,9-13H2,1-3H3/t17-/m1/s1
InChIKey
VEXKTEUCOAAVQK-QGZVFWFLSA-N
Compound name
[(6aR)-11-(2-methoxyacetyl)oxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] 2-methoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.16818 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.17546 196.8
[M+Na]+ 434.15740 201.9
[M-H]- 410.16090 199.6
[M+NH4]+ 429.20200 208.7
[M+K]+ 450.13134 199.5
[M+H-H2O]+ 394.16544 186.9
[M+HCOO]- 456.16638 209.0
[M+CH3COO]- 470.18203 228.6
[M+Na-2H]- 432.14285 198.9
[M]+ 411.16763 203.0
[M]- 411.16873 203.0
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.