CID 390366

6-(4-methylphenyl)-1,2-dihydropyridazine-3,4-dione

Structural Information

Molecular Formula
C11H10N2O2
SMILES
CC1=CC=C(C=C1)C2=CC(=O)C(=O)NN2
InChI
InChI=1S/C11H10N2O2/c1-7-2-4-8(5-3-7)9-6-10(14)11(15)13-12-9/h2-6H,1H3,(H,12,14)(H,13,15)
InChIKey
HAJZXCKVNFFSNI-UHFFFAOYSA-N
Compound name
6-(4-methylphenyl)-1,2-dihydropyridazine-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

202.07423 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08151 141.6
[M+Na]+ 225.06345 152.0
[M-H]- 201.06695 143.9
[M+NH4]+ 220.10805 156.9
[M+K]+ 241.03739 146.4
[M+H-H2O]+ 185.07149 134.0
[M+HCOO]- 247.07243 162.1
[M+CH3COO]- 261.08808 179.4
[M+Na-2H]- 223.04890 148.2
[M]+ 202.07368 139.6
[M]- 202.07478 139.6
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

patents stripe