CID 484711

3-phenyl-pyrazolo[5,1-c][1,2,4] benzotriazine 5-oxide

Structural Information

Molecular Formula
C15H10N4O
SMILES
C1=CC=C(C=C1)C2=C3N=[N+](C4=CC=CC=C4N3N=C2)[O-]
InChI
InChI=1S/C15H10N4O/c20-19-14-9-5-4-8-13(14)18-15(17-19)12(10-16-18)11-6-2-1-3-7-11/h1-10H
InChIKey
GNNAVUQPQOHJAN-UHFFFAOYSA-N
Compound name
5-oxido-3-phenylpyrazolo[5,1-c][1,2,4]benzotriazin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.08545 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09273 158.0
[M+Na]+ 285.07467 169.0
[M-H]- 261.07817 161.1
[M+NH4]+ 280.11927 171.7
[M+K]+ 301.04861 157.6
[M+H-H2O]+ 245.08271 152.1
[M+HCOO]- 307.08365 177.2
[M+CH3COO]- 321.09930 187.5
[M+Na-2H]- 283.06012 169.0
[M]+ 262.08490 157.4
[M]- 262.08600 157.4
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.