CID 3076448

131073-49-9

Structural Information

Molecular Formula
C16H11N5O
SMILES
C1=CC=C(C=C1)N2C(=CC=N2)N3C(=O)C4=CC=CC=C4N=N3
InChI
InChI=1S/C16H11N5O/c22-16-13-8-4-5-9-14(13)18-19-21(16)15-10-11-17-20(15)12-6-2-1-3-7-12/h1-11H
InChIKey
CESAKWFJYFGAKH-UHFFFAOYSA-N
Compound name
3-(2-phenylpyrazol-3-yl)-1,2,3-benzotriazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.09637 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.10365 166.5
[M+Na]+ 312.08559 178.8
[M-H]- 288.08909 171.7
[M+NH4]+ 307.13019 177.5
[M+K]+ 328.05953 171.3
[M+H-H2O]+ 272.09363 154.5
[M+HCOO]- 334.09457 186.5
[M+CH3COO]- 348.11022 177.9
[M+Na-2H]- 310.07104 174.2
[M]+ 289.09582 168.6
[M]- 289.09692 168.6
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.