CID 3064954

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

Structural Information

Molecular Formula
C11H14N6O2
SMILES
CCN1C2=NC3=C(N2CC(=N1)C)C(=O)NC(=O)N3C
InChI
InChI=1S/C11H14N6O2/c1-4-17-10-12-8-7(16(10)5-6(2)14-17)9(18)13-11(19)15(8)3/h4-5H2,1-3H3,(H,13,18,19)
InChIKey
KJDAEYJHLOLVQY-UHFFFAOYSA-N
Compound name
1-ethyl-3,9-dimethyl-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 164.2
[M+Na]+ 285.107048 179.0
[M-H]- 261.110554 162.4
[M+NH4]+ 280.151653 177.0
[M+K]+ 301.080988 172.6
[M+H-H2O]+ 245.115090 155.3
[M+HCOO]- 307.116031 179.3
[M+CH3COO]- 321.131681 175.4
[M+Na-2H]- 283.092496 168.7
[M]+ 262.11728142 168.1
[M]- 262.11837858 168.1
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.