CID 24805850

Chembl270100

Structural Information

Molecular Formula
C20H16N4O
SMILES
COC1=CC2=NC=CC(=C2C=C1)N/N=C/C3=NC4=CC=CC=C4C=C3
InChI
InChI=1S/C20H16N4O/c1-25-16-8-9-17-19(10-11-21-20(17)12-16)24-22-13-15-7-6-14-4-2-3-5-18(14)23-15/h2-13H,1H3,(H,21,24)/b22-13+
InChIKey
ADMOZTOJTVYTLM-LPYMAVHISA-N
Compound name
7-methoxy-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

328.13242 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13970 175.6
[M+Na]+ 351.12164 184.9
[M-H]- 327.12514 182.8
[M+NH4]+ 346.16624 188.5
[M+K]+ 367.09558 178.2
[M+H-H2O]+ 311.12968 164.0
[M+HCOO]- 373.13062 199.7
[M+CH3COO]- 387.14627 186.7
[M+Na-2H]- 349.10709 187.1
[M]+ 328.13187 178.5
[M]- 328.13297 178.5
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

No patent data available for this compound.