CID 45271823

Chembl550930

Structural Information

Molecular Formula
C20H16N4O
SMILES
COC1=CC2=NC=CC(=C2C=C1)N/N=C/C3=CC=NC4=CC=CC=C34
InChI
InChI=1S/C20H16N4O/c1-25-15-6-7-17-19(9-11-22-20(17)12-15)24-23-13-14-8-10-21-18-5-3-2-4-16(14)18/h2-13H,1H3,(H,22,24)/b23-13+
InChIKey
CSCRZIYOAWXFKA-YDZHTSKRSA-N
Compound name
7-methoxy-N-[(E)-quinolin-4-ylmethylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.13242 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.139696 175.6
[M+Na]+ 351.121638 184.9
[M-H]- 327.125144 182.8
[M+NH4]+ 346.166243 188.5
[M+K]+ 367.095578 178.2
[M+H-H2O]+ 311.129680 164.0
[M+HCOO]- 373.130621 199.7
[M+CH3COO]- 387.146271 186.7
[M+Na-2H]- 349.107086 187.1
[M]+ 328.13187142 178.5
[M]- 328.13296858 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.