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]+ 214.072336 144.4
[M+Na]+ 236.054278 157.0
[M-H]- 212.057784 145.4
[M+NH4]+ 231.098883 158.4
[M+K]+ 252.028218 151.0
[M+H-H2O]+ 196.062320 134.6
[M+HCOO]- 258.063261 164.1
[M+CH3COO]- 272.078911 156.8
[M+Na-2H]- 234.039726 153.6
[M]+ 213.06451142 145.2
[M]- 213.06560858 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