CID 6415541

62139-82-6

Structural Information

Molecular Formula
C20H18N2O2
SMILES
CCOC(=O)C1=C(N=NC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C20H18N2O2/c1-3-24-20(23)17-14(2)21-22-19(16-12-8-5-9-13-16)18(17)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3
InChIKey
WBZHEHMQHFEMCZ-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-5,6-diphenylpyridazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.13684 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14412 176.6
[M+Na]+ 341.12606 193.8
[M+NH4]+ 336.17066 184.3
[M+K]+ 357.10000 184.9
[M-H]- 317.12956 182.5
[M+Na-2H]- 339.11151 188.0
[M]+ 318.13629 180.9
[M]- 318.13739 180.9
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.