CID 476591

3-ethyl-6-methyl-4-phenylpyrazolo[4,5-d]1,2,3-triazole

Structural Information

Molecular Formula
C12H13N5
SMILES
CCN1C2=C(C(=NN2C3=CC=CC=C3)C)N=N1
InChI
InChI=1S/C12H13N5/c1-3-16-12-11(13-15-16)9(2)14-17(12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKey
VJBOGHNJMADDSQ-UHFFFAOYSA-N
Compound name
3-ethyl-6-methyl-4-phenylpyrazolo[3,4-d]triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.1171 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12438 151.0
[M+Na]+ 250.10632 163.6
[M-H]- 226.10982 153.6
[M+NH4]+ 245.15092 167.4
[M+K]+ 266.08026 159.0
[M+H-H2O]+ 210.11436 141.3
[M+HCOO]- 272.11530 172.1
[M+CH3COO]- 286.13095 164.0
[M+Na-2H]- 248.09177 155.5
[M]+ 227.11655 155.0
[M]- 227.11765 155.0
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

No patent data available for this compound.