CID 262051

Nsc95236

Structural Information

Molecular Formula
C19H17N3O2
SMILES
CCOC(=O)C1=C(C(=NN=C1N)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H17N3O2/c1-2-24-19(23)16-15(13-9-5-3-6-10-13)17(21-22-18(16)20)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,20,22)
InChIKey
BZPKKMTXCDZZSE-UHFFFAOYSA-N
Compound name
ethyl 3-amino-5,6-diphenylpyridazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.13208 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.13936 176.6
[M+Na]+ 342.12130 184.1
[M-H]- 318.12480 183.4
[M+NH4]+ 337.16590 187.1
[M+K]+ 358.09524 178.5
[M+H-H2O]+ 302.12934 165.6
[M+HCOO]- 364.13028 197.8
[M+CH3COO]- 378.14593 186.9
[M+Na-2H]- 340.10675 180.7
[M]+ 319.13153 176.5
[M]- 319.13263 176.5
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.