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 182.3
[M+Na]+ 347.12270 196.7
[M-H]- 323.12620 183.7
[M+NH4]+ 342.16730 192.1
[M+K]+ 363.09664 188.4
[M+H-H2O]+ 307.13074 171.6
[M+HCOO]- 369.13168 196.7
[M+CH3COO]- 383.14733 192.3
[M+Na-2H]- 345.10815 185.5
[M]+ 324.13293 185.5
[M]- 324.13403 185.5
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.