CID 476592

6-methyl-4-phenyl-3-benzylpyrazolo[4,5-d]1,2,3-triazole

Structural Information

Molecular Formula
C17H15N5
SMILES
CC1=NN(C2=C1N=NN2CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C17H15N5/c1-13-16-17(22(19-13)15-10-6-3-7-11-15)21(20-18-16)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChIKey
CZKFWWQOUXCQFK-UHFFFAOYSA-N
Compound name
3-benzyl-6-methyl-4-phenylpyrazolo[3,4-d]triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.13275 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14003 167.1
[M+Na]+ 312.12197 178.7
[M-H]- 288.12547 172.6
[M+NH4]+ 307.16657 180.3
[M+K]+ 328.09591 171.9
[M+H-H2O]+ 272.13001 155.8
[M+HCOO]- 334.13095 187.7
[M+CH3COO]- 348.14660 178.7
[M+Na-2H]- 310.10742 171.0
[M]+ 289.13220 170.1
[M]- 289.13330 170.1
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.