CID 251708

7150-06-3

Structural Information

Molecular Formula
C8H8N4O4
SMILES
CN1C2=C(C(=O)C(=O)NN2)C(=O)N(C1=O)C
InChI
InChI=1S/C8H8N4O4/c1-11-5-3(4(13)6(14)10-9-5)7(15)12(2)8(11)16/h1-2H3,(H,9,13)(H,10,14)
InChIKey
FCIUSRHGVVBDON-UHFFFAOYSA-N
Compound name
6,8-dimethyl-1,2-dihydropyrimido[4,5-c]pyridazine-3,4,5,7-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.05455 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06183 145.7
[M+Na]+ 247.04377 160.4
[M-H]- 223.04727 144.4
[M+NH4]+ 242.08837 159.2
[M+K]+ 263.01771 155.0
[M+H-H2O]+ 207.05181 138.3
[M+HCOO]- 269.05275 163.3
[M+CH3COO]- 283.06840 185.3
[M+Na-2H]- 245.02922 152.0
[M]+ 224.05400 147.7
[M]- 224.05510 147.7
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.