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]+ 343.177806 182.1
[M+Na]+ 365.159748 190.9
[M-H]- 341.163254 184.2
[M+NH4]+ 360.204353 198.7
[M+K]+ 381.133688 180.4
[M+H-H2O]+ 325.167790 176.6
[M+HCOO]- 387.168731 193.2
[M+CH3COO]- 401.184381 206.8
[M+Na-2H]- 363.145196 188.9
[M]+ 342.16998142 183.4
[M]- 342.17107858 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.