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]+ 263.12511 164.2
[M+Na]+ 285.10705 179.0
[M-H]- 261.11055 162.4
[M+NH4]+ 280.15165 177.0
[M+K]+ 301.08099 172.6
[M+H-H2O]+ 245.11509 155.3
[M+HCOO]- 307.11603 179.3
[M+CH3COO]- 321.13168 175.4
[M+Na-2H]- 283.09250 168.7
[M]+ 262.11728 168.1
[M]- 262.11838 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.