CID 37834

Laurifoline chloride

Structural Information

Molecular Formula
C20H24NO4
SMILES
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC)C
InChI
InChI=1S/C20H23NO4/c1-21(2)6-5-11-9-17(25-4)20(23)19-13-10-16(24-3)15(22)8-12(13)7-14(21)18(11)19/h8-10,14H,5-7H2,1-4H3,(H-,22,23)/p+1
InChIKey
ZDVDVLRYVOZWMP-UHFFFAOYSA-O
Compound name
2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.17053 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.17781 182.1
[M+Na]+ 365.15975 190.9
[M-H]- 341.16325 184.2
[M+NH4]+ 360.20435 198.7
[M+K]+ 381.13369 180.4
[M+H-H2O]+ 325.16779 176.6
[M+HCOO]- 387.16873 193.2
[M+CH3COO]- 401.18438 206.8
[M+Na-2H]- 363.14520 188.9
[M]+ 342.16998 183.4
[M]- 342.17108 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.