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 176.7
[M+Na]+ 341.12606 184.6
[M-H]- 317.12956 183.8
[M+NH4]+ 336.17066 187.8
[M+K]+ 357.10000 179.2
[M+H-H2O]+ 301.13410 165.7
[M+HCOO]- 363.13504 197.1
[M+CH3COO]- 377.15069 208.2
[M+Na-2H]- 339.11151 180.7
[M]+ 318.13629 178.5
[M]- 318.13739 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.