CID 3032988

6-hexyl-1,2,10-trimethoxy-6a-alpha-noraporphin-9-ol hydrochloride

Structural Information

Molecular Formula
C25H33NO4
SMILES
CCCCCCN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)O)OC)OC)OC
InChI
InChI=1S/C25H33NO4/c1-5-6-7-8-12-26-13-11-17-15-20(28-2)25(30-4)23-21(17)18(26)14-16-9-10-19(27)24(29-3)22(16)23/h9-10,15,18,27H,5-8,11-14H2,1-4H3/t18-/m0/s1
InChIKey
XWKWFFAHNIOTEU-SFHVURJKSA-N
Compound name
(6aS)-6-hexyl-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

411.24097 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.248246 204.9
[M+Na]+ 434.230188 210.9
[M-H]- 410.233694 206.6
[M+NH4]+ 429.274793 217.2
[M+K]+ 450.204128 205.9
[M+H-H2O]+ 394.238230 195.0
[M+HCOO]- 456.239171 216.1
[M+CH3COO]- 470.254821 231.1
[M+Na-2H]- 432.215636 205.7
[M]+ 411.24042142 210.6
[M]- 411.24151858 210.6
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.