CID 3055973

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

Structural Information

Molecular Formula
C11H9N5
SMILES
CC1=NN=C2N1N=CC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C11H9N5/c1-8-14-15-11-13-10(7-12-16(8)11)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
KLZSQSPMBNTOJJ-UHFFFAOYSA-N
Compound name
3-methyl-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

211.0858 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09308 144.4
[M+Na]+ 234.07502 161.4
[M+NH4]+ 229.11962 152.3
[M+K]+ 250.04896 155.7
[M-H]- 210.07852 146.8
[M+Na-2H]- 232.06047 154.5
[M]+ 211.08525 147.6
[M]- 211.08635 147.6
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