CID 3071852

139179-53-6

Structural Information

Molecular Formula
C14H10N6O2
SMILES
C1=CC=C(C=C1)OC2=NC3=NC(=NN3C(=N2)N)C4=CC=CO4
InChI
InChI=1S/C14H10N6O2/c15-12-17-14(22-9-5-2-1-3-6-9)18-13-16-11(19-20(12)13)10-7-4-8-21-10/h1-8H,(H2,15,16,17,18,19)
InChIKey
ZQSNZROOZBSWNB-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

16
Patents

294.08652 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09380 161.9
[M+Na]+ 317.07574 173.7
[M-H]- 293.07924 168.3
[M+NH4]+ 312.12034 172.9
[M+K]+ 333.04968 169.4
[M+H-H2O]+ 277.08378 151.2
[M+HCOO]- 339.08472 183.3
[M+CH3COO]- 353.10037 173.9
[M+Na-2H]- 315.06119 167.8
[M]+ 294.08597 165.7
[M]- 294.08707 165.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe