CID 3621141

109632-03-3

Structural Information

Molecular Formula
C13H12N4O4
SMILES
CC(=O)C(C(=O)C)N=NC1=CC=CC2=C1C(=O)NNC2=O
InChI
InChI=1S/C13H12N4O4/c1-6(18)11(7(2)19)15-14-9-5-3-4-8-10(9)13(21)17-16-12(8)20/h3-5,11H,1-2H3,(H,16,20)(H,17,21)
InChIKey
XWZORHXCJSIQCY-UHFFFAOYSA-N
Compound name
5-(2,4-dioxopentan-3-yldiazenyl)-2,3-dihydrophthalazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

288.08585 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.093126 160.3
[M+Na]+ 311.075068 168.6
[M-H]- 287.078574 162.8
[M+NH4]+ 306.119673 173.4
[M+K]+ 327.049008 165.6
[M+H-H2O]+ 271.083110 152.0
[M+HCOO]- 333.084051 181.5
[M+CH3COO]- 347.099701 206.7
[M+Na-2H]- 309.060516 165.3
[M]+ 288.08530142 161.5
[M]- 288.08639858 161.5
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

patents stripe