CID 3045989

Aporphine-10,11-diyl diethyl carbonate

Structural Information

Molecular Formula
C23H25NO6
SMILES
CCOC(=O)OC1=C(C2=C(C[C@@H]3C4=C(CCN3C)C=CC=C42)C=C1)OC(=O)OCC
InChI
InChI=1S/C23H25NO6/c1-4-27-22(25)29-18-10-9-15-13-17-19-14(11-12-24(17)3)7-6-8-16(19)20(15)21(18)30-23(26)28-5-2/h6-10,17H,4-5,11-13H2,1-3H3/t17-/m1/s1
InChIKey
UCZVWSPAXKBJQA-QGZVFWFLSA-N
Compound name
[(6aR)-10-ethoxycarbonyloxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl] ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.16818 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.17546 196.3
[M+Na]+ 434.15740 208.6
[M+NH4]+ 429.20200 202.9
[M+K]+ 450.13134 202.0
[M-H]- 410.16090 197.4
[M+Na-2H]- 432.14285 197.6
[M]+ 411.16763 198.3
[M]- 411.16873 198.3
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.