CID 3070760

1,2,4-triazolo(4,3-b)(1,2,4)triazine, 7-(4-methylphenyl)-

Structural Information

Molecular Formula
C11H9N5
SMILES
CC1=CC=C(C=C1)C2=NC3=NN=CN3N=C2
InChI
InChI=1S/C11H9N5/c1-8-2-4-9(5-3-8)10-6-13-16-7-12-15-11(16)14-10/h2-7H,1H3
InChIKey
KFMAFQGTESBKIN-UHFFFAOYSA-N
Compound name
7-(4-methylphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

211.0858 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.093076 145.9
[M+Na]+ 234.075018 158.3
[M-H]- 210.078524 147.8
[M+NH4]+ 229.119623 160.7
[M+K]+ 250.048958 152.9
[M+H-H2O]+ 194.083060 135.5
[M+HCOO]- 256.084001 166.3
[M+CH3COO]- 270.099651 158.6
[M+Na-2H]- 232.060466 154.9
[M]+ 211.08525142 148.1
[M]- 211.08634858 148.1
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