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[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

166.0603 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06758 129.5
[M+Na]+ 189.04952 140.8
[M-H]- 165.05302 127.3
[M+NH4]+ 184.09412 145.8
[M+K]+ 205.02346 136.0
[M+H-H2O]+ 149.05756 121.8
[M+HCOO]- 211.05850 151.1
[M+CH3COO]- 225.07415 142.0
[M+Na-2H]- 187.03497 139.1
[M]+ 166.05975 126.7
[M]- 166.06085 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