CID 136321308

3-amino-1,5-dihydro-1-methyl-4h-pyrazolo[3,4-d]pyrimidin-4-one

Structural Information

Molecular Formula
C6H7N5O
SMILES
CN1C2=C(C(=N1)N)C(=O)NC=N2
InChI
InChI=1S/C6H7N5O/c1-11-5-3(4(7)10-11)6(12)9-2-8-5/h2H,1H3,(H2,7,10)(H,8,9,12)
InChIKey
KTSXHMMOCZUKOW-UHFFFAOYSA-N
Compound name
3-amino-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.06506 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.07234 130.8
[M+Na]+ 188.05428 143.8
[M+NH4]+ 183.09888 137.2
[M+K]+ 204.02822 141.1
[M-H]- 164.05778 130.2
[M+Na-2H]- 186.03973 136.2
[M]+ 165.06451 132.1
[M]- 165.06561 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.