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]+ 412.175456 196.8
[M+Na]+ 434.157398 201.9
[M-H]- 410.160904 199.6
[M+NH4]+ 429.202003 208.7
[M+K]+ 450.131338 199.5
[M+H-H2O]+ 394.165440 186.9
[M+HCOO]- 456.166381 209.0
[M+CH3COO]- 470.182031 228.6
[M+Na-2H]- 432.142846 198.9
[M]+ 411.16763142 203.0
[M]- 411.16872858 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.