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

5
Patents

288.08585 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09313 160.7
[M+Na]+ 311.07507 171.1
[M+NH4]+ 306.11967 164.7
[M+K]+ 327.04901 167.7
[M-H]- 287.07857 160.2
[M+Na-2H]- 309.06052 164.4
[M]+ 288.08530 161.4
[M]- 288.08640 161.4
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