CID 3045990

Dimethylcarbamic acid aporphine-10,11-diyl ester

Structural Information

Molecular Formula
C23H27N3O4
SMILES
CN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)OC(=O)N(C)C)OC(=O)N(C)C
InChI
InChI=1S/C23H27N3O4/c1-24(2)22(27)29-18-10-9-15-13-17-19-14(11-12-26(17)5)7-6-8-16(19)20(15)21(18)30-23(28)25(3)4/h6-10,17H,11-13H2,1-5H3/t17-/m1/s1
InChIKey
BYPOKQVFBCKTGJ-QGZVFWFLSA-N
Compound name
[(6aR)-11-(dimethylcarbamoyloxy)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.20016 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.20744 195.8
[M+Na]+ 432.18938 206.7
[M+NH4]+ 427.23398 202.8
[M+K]+ 448.16332 201.0
[M-H]- 408.19288 198.8
[M+Na-2H]- 430.17483 197.9
[M]+ 409.19961 198.0
[M]- 409.20071 198.0
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.