CID 484701

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

Structural Information

Molecular Formula
C9H6N4
SMILES
C1=CC=C2C(=C1)N=NC3=CC=NN23
InChI
InChI=1S/C9H6N4/c1-2-4-8-7(3-1)11-12-9-5-6-10-13(8)9/h1-6H
InChIKey
FTJUUZHOFNHTDJ-UHFFFAOYSA-N
Compound name
pyrazolo[5,1-c][1,2,4]benzotriazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

170.05925 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.066526 132.3
[M+Na]+ 193.048468 144.8
[M-H]- 169.051974 133.2
[M+NH4]+ 188.093073 151.3
[M+K]+ 209.022408 140.4
[M+H-H2O]+ 153.056510 123.5
[M+HCOO]- 215.057451 153.5
[M+CH3COO]- 229.073101 146.1
[M+Na-2H]- 191.033916 144.0
[M]+ 170.05870142 134.4
[M]- 170.05979858 134.4
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