CID 25195

Leniquinsin

Structural Information

Molecular Formula
C20H20N2O4
SMILES
COC1=C(C=C(C=C1)C=NC2=C3C=C(C(=CC3=NC=C2)OC)OC)OC
InChI
InChI=1S/C20H20N2O4/c1-23-17-6-5-13(9-18(17)24-2)12-22-15-7-8-21-16-11-20(26-4)19(25-3)10-14(15)16/h5-12H,1-4H3
InChIKey
JIGAQXOHSFIRIS-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-N-(6,7-dimethoxyquinolin-4-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

378
Patents

352.1423 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14958 183.4
[M+Na]+ 375.13152 192.5
[M-H]- 351.13502 191.5
[M+NH4]+ 370.17612 196.7
[M+K]+ 391.10546 189.3
[M+H-H2O]+ 335.13956 172.9
[M+HCOO]- 397.14050 207.3
[M+CH3COO]- 411.15615 220.4
[M+Na-2H]- 373.11697 188.7
[M]+ 352.14175 191.5
[M]- 352.14285 191.5
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.