CID 3064956

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

Structural Information

Molecular Formula
C11H14N6O2
SMILES
CC1C(=NN(C2=NC3=C(N12)C(=O)NC(=O)N3C)C)C
InChI
InChI=1S/C11H14N6O2/c1-5-6(2)17-7-8(12-10(17)16(4)14-5)15(3)11(19)13-9(7)18/h6H,1-4H3,(H,13,18,19)
InChIKey
WGIIHMJIPHVAIC-UHFFFAOYSA-N
Compound name
1,3,4,9-tetramethyl-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

262.11783 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.125106 165.2
[M+Na]+ 285.107048 180.9
[M-H]- 261.110554 163.8
[M+NH4]+ 280.151653 178.3
[M+K]+ 301.080988 174.4
[M+H-H2O]+ 245.115090 156.6
[M+HCOO]- 307.116031 180.2
[M+CH3COO]- 321.131681 176.7
[M+Na-2H]- 283.092496 168.8
[M]+ 262.11728142 169.5
[M]- 262.11837858 169.5
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.