CID 314939

2-methyl-1,2,3,4-tetrahydrophthalazine-1,4-dione

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CN1C(=O)C2=CC=CC=C2C(=O)N1
InChI
InChI=1S/C9H8N2O2/c1-11-9(13)7-5-3-2-4-6(7)8(12)10-11/h2-5H,1H3,(H,10,12)
InChIKey
RDVYNYHUUGFVQN-UHFFFAOYSA-N
Compound name
3-methyl-2H-phthalazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

139
Patents

176.05858 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 132.6
[M+Na]+ 199.04780 144.5
[M-H]- 175.05130 134.3
[M+NH4]+ 194.09240 151.2
[M+K]+ 215.02174 140.3
[M+H-H2O]+ 159.05584 125.9
[M+HCOO]- 221.05678 153.8
[M+CH3COO]- 235.07243 177.6
[M+Na-2H]- 197.03325 141.6
[M]+ 176.05803 133.2
[M]- 176.05913 133.2
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