CID 3064957

1,4-dihydro-1-phenyl-3,4,9-trimethyl-(1,2,4)triazino(3,4-f)purine-6,8(7h,9h)-dione

Structural Information

Molecular Formula
C16H16N6O2
SMILES
CC1C(=NN(C2=NC3=C(N12)C(=O)NC(=O)N3C)C4=CC=CC=C4)C
InChI
InChI=1S/C16H16N6O2/c1-9-10(2)21-12-13(20(3)16(24)18-14(12)23)17-15(21)22(19-9)11-7-5-4-6-8-11/h4-8,10H,1-3H3,(H,18,23,24)
InChIKey
UZXPWOUZKUITTC-UHFFFAOYSA-N
Compound name
3,4,9-trimethyl-1-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.13348 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14076 178.5
[M+Na]+ 347.12270 195.6
[M+NH4]+ 342.16730 183.9
[M+K]+ 363.09664 190.7
[M-H]- 323.12620 179.6
[M+Na-2H]- 345.10815 183.9
[M]+ 324.13293 181.2
[M]- 324.13403 181.2
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.