CID 58996

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

Structural Information

Molecular Formula
C26H34N2O4
SMILES
COC1=C(C2=C3[C@H](CC4=C2C(=C(C=C4)O)OC)N(CCC3=C1)CCN5CCCCC5)OC
InChI
InChI=1S/C26H34N2O4/c1-30-21-16-18-9-12-28(14-13-27-10-5-4-6-11-27)19-15-17-7-8-20(29)25(31-2)23(17)24(22(18)19)26(21)32-3/h7-8,16,19,29H,4-6,9-15H2,1-3H3/t19-/m0/s1
InChIKey
URUVUIRKFXFAHG-IBGZPJMESA-N
Compound name
(6aS)-1,2,11-trimethoxy-6-(2-piperidin-1-ylethyl)-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

438.25186 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.25914 210.9
[M+Na]+ 461.24108 224.2
[M+NH4]+ 456.28568 218.6
[M+K]+ 477.21502 215.4
[M-H]- 437.24458 214.9
[M+Na-2H]- 459.22653 212.6
[M]+ 438.25131 214.0
[M]- 438.25241 214.0
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.