CID 6410671

1,2,4-triazolo(4,3-b)(1,2,4)triazin-3(2h)-one, 7-phenyl-

Structural Information

Molecular Formula
C10H7N5O
SMILES
C1=CC=C(C=C1)C2=NC3=NNC(=O)N3N=C2
InChI
InChI=1S/C10H7N5O/c16-10-14-13-9-12-8(6-11-15(9)10)7-4-2-1-3-5-7/h1-6H,(H,14,16)
InChIKey
SDDMAWPFOSFTTC-UHFFFAOYSA-N
Compound name
7-phenyl-2H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

213.06506 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.07234 143.5
[M+Na]+ 236.05428 159.6
[M+NH4]+ 231.09888 150.3
[M+K]+ 252.02822 154.9
[M-H]- 212.05778 144.7
[M+Na-2H]- 234.03973 152.6
[M]+ 213.06451 146.0
[M]- 213.06561 146.0
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