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 144.4
[M+Na]+ 236.05428 157.0
[M-H]- 212.05778 145.4
[M+NH4]+ 231.09888 158.4
[M+K]+ 252.02822 151.0
[M+H-H2O]+ 196.06232 134.6
[M+HCOO]- 258.06326 164.1
[M+CH3COO]- 272.07891 156.8
[M+Na-2H]- 234.03973 153.6
[M]+ 213.06451 145.2
[M]- 213.06561 145.2
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