CID 9664695

769153-06-2

Structural Information

Molecular Formula
C25H20N4O4
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=NC=CN=C4
InChI
InChI=1S/C25H20N4O4/c1-2-32-19-10-7-18(8-11-19)25(31)33-23-12-9-17-5-3-4-6-20(17)21(23)15-28-29-24(30)22-16-26-13-14-27-22/h3-16H,2H2,1H3,(H,29,30)/b28-15+
InChIKey
QASSGZXMHHLPGE-RWPZCVJISA-N
Compound name
[1-[(E)-(pyrazine-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.14847 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.15575 205.1
[M+Na]+ 463.13769 219.7
[M+NH4]+ 458.18229 210.5
[M+K]+ 479.11163 211.5
[M-H]- 439.14119 211.3
[M+Na-2H]- 461.12314 215.0
[M]+ 440.14792 208.8
[M]- 440.14902 208.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.