CID 3152870

382646-12-0

Structural Information

Molecular Formula
C11H14N6O2
SMILES
CC1C(=NNC2=NC3=C(N12)C(=O)N(C(=O)N3C)C)C
InChI
InChI=1S/C11H14N6O2/c1-5-6(2)17-7-8(12-10(17)14-13-5)15(3)11(19)16(4)9(7)18/h6H,1-4H3,(H,12,14)
InChIKey
GYUUDAQGACKOID-UHFFFAOYSA-N
Compound name
3,4,7,9-tetramethyl-1,4-dihydropurino[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

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12511 165.2
[M+Na]+ 285.10705 180.9
[M-H]- 261.11055 163.8
[M+NH4]+ 280.15165 178.3
[M+K]+ 301.08099 174.4
[M+H-H2O]+ 245.11509 156.6
[M+HCOO]- 307.11603 180.2
[M+CH3COO]- 321.13168 176.7
[M+Na-2H]- 283.09250 168.8
[M]+ 262.11728 169.5
[M]- 262.11838 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.