CID 3064955

106087-30-3

Structural Information

Molecular Formula
C10H12N6O2
SMILES
CC1C(=NNC2=NC3=C(N12)C(=O)NC(=O)N3C)C
InChI
InChI=1S/C10H12N6O2/c1-4-5(2)16-6-7(11-9(16)14-13-4)15(3)10(18)12-8(6)17/h5H,1-3H3,(H,11,14)(H,12,17,18)
InChIKey
NDTSEHKILCGGKQ-UHFFFAOYSA-N
Compound name
3,4,9-trimethyl-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

248.10217 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10945 160.7
[M+Na]+ 271.09139 175.5
[M-H]- 247.09489 157.8
[M+NH4]+ 266.13599 173.5
[M+K]+ 287.06533 168.6
[M+H-H2O]+ 231.09943 152.3
[M+HCOO]- 293.10037 174.7
[M+CH3COO]- 307.11602 171.7
[M+Na-2H]- 269.07684 165.3
[M]+ 248.10162 162.5
[M]- 248.10272 162.5
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.