CID 3077676

135104-20-0

Structural Information

Molecular Formula
C11H8N4O
SMILES
C1=CC=C(C=C1)C2=NN3C=NNC(=O)C3=C2
InChI
InChI=1S/C11H8N4O/c16-11-10-6-9(8-4-2-1-3-5-8)14-15(10)7-12-13-11/h1-7H,(H,13,16)
InChIKey
BLJSLKIFQXRXSE-UHFFFAOYSA-N
Compound name
2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.06981 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.077086 143.7
[M+Na]+ 235.059028 155.8
[M-H]- 211.062534 145.9
[M+NH4]+ 230.103633 159.2
[M+K]+ 251.032968 149.9
[M+H-H2O]+ 195.067070 134.5
[M+HCOO]- 257.068011 164.6
[M+CH3COO]- 271.083661 156.5
[M+Na-2H]- 233.044476 152.5
[M]+ 212.06926142 144.4
[M]- 212.07035858 144.4
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

No patent data available for this compound.