CID 6400271

Pyrazol-triazol ph deriv.

Structural Information

Molecular Formula
C10H9N5
SMILES
CC1=NN(C2=NNN=C12)C3=CC=CC=C3
InChI
InChI=1S/C10H9N5/c1-7-9-10(12-14-11-9)15(13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,14)
InChIKey
CCBYMRQFFDOWNS-UHFFFAOYSA-N
Compound name
6-methyl-4-phenyl-2H-pyrazolo[3,4-d]triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

199.0858 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09308 141.7
[M+Na]+ 222.07502 153.9
[M-H]- 198.07852 143.0
[M+NH4]+ 217.11962 158.3
[M+K]+ 238.04896 149.0
[M+H-H2O]+ 182.08306 132.4
[M+HCOO]- 244.08400 162.1
[M+CH3COO]- 258.09965 154.6
[M+Na-2H]- 220.06047 147.7
[M]+ 199.08525 142.9
[M]- 199.08635 142.9
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

No patent data available for this compound.