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]+ 412.24825 204.9
[M+Na]+ 434.23019 210.9
[M-H]- 410.23369 206.6
[M+NH4]+ 429.27479 217.2
[M+K]+ 450.20413 205.9
[M+H-H2O]+ 394.23823 195.0
[M+HCOO]- 456.23917 216.1
[M+CH3COO]- 470.25482 231.1
[M+Na-2H]- 432.21564 205.7
[M]+ 411.24042 210.6
[M]- 411.24152 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.