CID 136004711

6-methyl-1-(pyrimidin-2-yl)-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one

Structural Information

Molecular Formula
C10H8N6O
SMILES
CC1=NC2=C(C=NN2C3=NC=CC=N3)C(=O)N1
InChI
InChI=1S/C10H8N6O/c1-6-14-8-7(9(17)15-6)5-13-16(8)10-11-3-2-4-12-10/h2-5H,1H3,(H,14,15,17)
InChIKey
WMVLFSBZXDDNTC-UHFFFAOYSA-N
Compound name
6-methyl-1-pyrimidin-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.07596 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.083236 150.9
[M+Na]+ 251.065178 164.4
[M-H]- 227.068684 150.9
[M+NH4]+ 246.109783 163.1
[M+K]+ 267.039118 157.9
[M+H-H2O]+ 211.073220 140.7
[M+HCOO]- 273.074161 169.1
[M+CH3COO]- 287.089811 162.7
[M+Na-2H]- 249.050626 159.0
[M]+ 228.07541142 152.6
[M]- 228.07650858 152.6
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.