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
3
Annotation Hits

0
References

382
Patents

352.1423 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.149576 183.4
[M+Na]+ 375.131518 192.5
[M-H]- 351.135024 191.5
[M+NH4]+ 370.176123 196.7
[M+K]+ 391.105458 189.3
[M+H-H2O]+ 335.139560 172.9
[M+HCOO]- 397.140501 207.3
[M+CH3COO]- 411.156151 220.4
[M+Na-2H]- 373.116966 188.7
[M]+ 352.14175142 191.5
[M]- 352.14284858 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

literature stripe

Patent stripe

patents stripe