CID 3064812

Brn 5676975

Structural Information

Molecular Formula
C22H20N8O3
SMILES
CN1C2=C(C(=O)N(C1=O)CC(=O)NN)N3CC(=NN(C3=N2)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C22H20N8O3/c1-27-19-18(20(32)29(22(27)33)13-17(31)25-23)28-12-16(14-8-4-2-5-9-14)26-30(21(28)24-19)15-10-6-3-7-11-15/h2-11H,12-13,23H2,1H3,(H,25,31)
InChIKey
DXRXSDFNVFOQFF-UHFFFAOYSA-N
Compound name
2-(9-methyl-6,8-dioxo-1,3-diphenyl-4H-purino[8,7-c][1,2,4]triazin-7-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.16583 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.17311 204.5
[M+Na]+ 467.15505 220.0
[M+NH4]+ 462.19965 208.1
[M+K]+ 483.12899 215.7
[M-H]- 443.15855 208.3
[M+Na-2H]- 465.14050 211.3
[M]+ 444.16528 207.5
[M]- 444.16638 207.5
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

No patent data available for this compound.