CID 45268443

Chembl555423

Structural Information

Molecular Formula
C17H15N3O2
SMILES
COC1=CC2=NC=CC(=C2C=C1)N/N=C/C3=CC(=CC=C3)O
InChI
InChI=1S/C17H15N3O2/c1-22-14-5-6-15-16(7-8-18-17(15)10-14)20-19-11-12-3-2-4-13(21)9-12/h2-11,21H,1H3,(H,18,20)/b19-11+
InChIKey
RZYZEIMMPKKNQI-YBFXNURJSA-N
Compound name
3-[(E)-[(7-methoxyquinolin-4-yl)hydrazinylidene]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.11642 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12370 165.6
[M+Na]+ 316.10564 173.5
[M-H]- 292.10914 172.1
[M+NH4]+ 311.15024 180.0
[M+K]+ 332.07958 168.5
[M+H-H2O]+ 276.11368 156.1
[M+HCOO]- 338.11462 190.0
[M+CH3COO]- 352.13027 177.1
[M+Na-2H]- 314.09109 174.2
[M]+ 293.11587 166.8
[M]- 293.11697 166.8
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.