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[3,4-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]+ 229.08324 148.4
[M+Na]+ 251.06518 164.7
[M+NH4]+ 246.10978 154.4
[M+K]+ 267.03912 160.5
[M-H]- 227.06868 148.9
[M+Na-2H]- 249.05063 156.7
[M]+ 228.07541 150.8
[M]- 228.07651 150.8
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.

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No patent data available for this compound.