CID 135423160

7-phenyl-3h,4h,7h-pyrazolo[3,4-d][1,2,3]triazin-4-one

Structural Information

Molecular Formula
C10H7N5O
SMILES
C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)NN=N3
InChI
InChI=1S/C10H7N5O/c16-10-8-6-11-15(9(8)12-14-13-10)7-4-2-1-3-5-7/h1-6H,(H,12,13,16)
InChIKey
ODBQOGDBWHQVKL-UHFFFAOYSA-N
Compound name
7-phenyl-3H-pyrazolo[3,4-d]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

213.06506 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.07234 143.5
[M+Na]+ 236.05428 159.6
[M+NH4]+ 231.09888 150.3
[M+K]+ 252.02822 154.9
[M-H]- 212.05778 144.7
[M+Na-2H]- 234.03973 152.6
[M]+ 213.06451 146.0
[M]- 213.06561 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe