CID 361699

Nsc624942

Structural Information

Molecular Formula
C6H6N4O2
SMILES
CC1=C2C(=NC(=O)N1)NNC2=O
InChI
InChI=1S/C6H6N4O2/c1-2-3-4(8-6(12)7-2)9-10-5(3)11/h1H3,(H3,7,8,9,10,11,12)
InChIKey
GWIXTZMKYYXKOQ-UHFFFAOYSA-N
Compound name
4-methyl-2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.04907 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05635 131.8
[M+Na]+ 189.03829 145.0
[M-H]- 165.04179 128.7
[M+NH4]+ 184.08289 148.4
[M+K]+ 205.01223 139.4
[M+H-H2O]+ 149.04633 125.0
[M+HCOO]- 211.04727 150.3
[M+CH3COO]- 225.06292 144.6
[M+Na-2H]- 187.02374 139.1
[M]+ 166.04852 130.8
[M]- 166.04962 130.8
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.