CID 484708

Pyrazolo[5,1-c][1,2,4]benzotriazine-3-carbonitrile

Structural Information

Molecular Formula
C10H5N5
SMILES
C1=CC=C2C(=C1)N=NC3=C(C=NN23)C#N
InChI
InChI=1S/C10H5N5/c11-5-7-6-12-15-9-4-2-1-3-8(9)13-14-10(7)15/h1-4,6H
InChIKey
XLDFAWRRURHWQS-UHFFFAOYSA-N
Compound name
pyrazolo[5,1-c][1,2,4]benzotriazine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

195.05449 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06177 139.2
[M+Na]+ 218.04371 152.8
[M-H]- 194.04721 138.1
[M+NH4]+ 213.08831 154.6
[M+K]+ 234.01765 146.0
[M+H-H2O]+ 178.05175 123.0
[M+HCOO]- 240.05269 155.7
[M+CH3COO]- 254.06834 150.4
[M+Na-2H]- 216.02916 148.2
[M]+ 195.05394 135.9
[M]- 195.05504 135.9
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

patents stripe