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]+ 196.061766 139.2
[M+Na]+ 218.043708 152.8
[M-H]- 194.047214 138.1
[M+NH4]+ 213.088313 154.6
[M+K]+ 234.017648 146.0
[M+H-H2O]+ 178.051750 123.0
[M+HCOO]- 240.052691 155.7
[M+CH3COO]- 254.068341 150.4
[M+Na-2H]- 216.029156 148.2
[M]+ 195.05394142 135.9
[M]- 195.05503858 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