CID 45271824

Chembl571671

Structural Information

Molecular Formula
C21H18N4O2
SMILES
COC1=CC2=NC=CC(=C2C=C1)/C=N/NC3=C4C=CC(=CC4=NC=C3)OC
InChI
InChI=1S/C21H18N4O2/c1-26-15-3-5-17-14(7-9-22-20(17)11-15)13-24-25-19-8-10-23-21-12-16(27-2)4-6-18(19)21/h3-13H,1-2H3,(H,23,25)/b24-13+
InChIKey
YNGKBHZTWSAORW-ZMOGYAJESA-N
Compound name
7-methoxy-N-[(E)-(7-methoxyquinolin-4-yl)methylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.14297 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15025 184.4
[M+Na]+ 381.13219 193.8
[M-H]- 357.13569 191.8
[M+NH4]+ 376.17679 196.2
[M+K]+ 397.10613 187.8
[M+H-H2O]+ 341.14023 172.5
[M+HCOO]- 403.14117 208.2
[M+CH3COO]- 417.15682 195.1
[M+Na-2H]- 379.11764 194.6
[M]+ 358.14242 189.3
[M]- 358.14352 189.3
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.