CID 58990

6a-alpha-noraporphin-9-ol, 6-(2-(diethylamino)ethyl)-1,2,10-trimethoxy-, monohydrochloride

Structural Information

Molecular Formula
C25H34N2O4
SMILES
CCN(CC)CCN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)O)OC)OC)OC
InChI
InChI=1S/C25H34N2O4/c1-6-26(7-2)12-13-27-11-10-17-15-20(29-3)25(31-5)23-21(17)18(27)14-16-8-9-19(28)24(30-4)22(16)23/h8-9,15,18,28H,6-7,10-14H2,1-5H3/t18-/m0/s1
InChIKey
PQHSBDUDXYAEBS-SFHVURJKSA-N
Compound name
(6aS)-6-[2-(diethylamino)ethyl]-1,2,11-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.25186 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.25914 206.3
[M+Na]+ 449.24108 218.8
[M+NH4]+ 444.28568 213.7
[M+K]+ 465.21502 210.7
[M-H]- 425.24458 209.3
[M+Na-2H]- 447.22653 207.4
[M]+ 426.25131 208.9
[M]- 426.25241 208.9
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.