CID 484700

Pyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide

Structural Information

Molecular Formula
C9H6N4O
SMILES
C1=CC=C2C(=C1)N3C(=CC=N3)N=[N+]2[O-]
InChI
InChI=1S/C9H6N4O/c14-13-8-4-2-1-3-7(8)12-9(11-13)5-6-10-12/h1-6H
InChIKey
DSRIFQOGAKVMES-UHFFFAOYSA-N
Compound name
5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

186.05415 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.06143 135.4
[M+Na]+ 209.04337 147.3
[M-H]- 185.04687 135.5
[M+NH4]+ 204.08797 152.8
[M+K]+ 225.01731 138.3
[M+H-H2O]+ 169.05141 131.5
[M+HCOO]- 231.05235 155.7
[M+CH3COO]- 245.06800 172.3
[M+Na-2H]- 207.02882 148.3
[M]+ 186.05360 135.2
[M]- 186.05470 135.2
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.