CID 135905161

6-hydrazinyl-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one

Structural Information

Molecular Formula
C5H6N6O
SMILES
C1=NNC2=C1C(=O)NC(=N2)NN
InChI
InChI=1S/C5H6N6O/c6-10-5-8-3-2(1-7-11-3)4(12)9-5/h1H,6H2,(H3,7,8,9,10,11,12)
InChIKey
LEFRWEFKNQEIDR-UHFFFAOYSA-N
Compound name
6-hydrazinyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

166.0603 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.067576 129.5
[M+Na]+ 189.049518 140.8
[M-H]- 165.053024 127.3
[M+NH4]+ 184.094123 145.8
[M+K]+ 205.023458 136.0
[M+H-H2O]+ 149.057560 121.8
[M+HCOO]- 211.058501 151.1
[M+CH3COO]- 225.074151 142.0
[M+Na-2H]- 187.034966 139.1
[M]+ 166.05975142 126.7
[M]- 166.06084858 126.7
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

patents stripe