CID 3071890

Pyrazolo(1,5-a)-1,3,5-triazin-4-amine, 7-(2-furanyl)-2-phenoxy-

Structural Information

Molecular Formula
C15H11N5O2
SMILES
C1=CC=C(C=C1)OC2=NC3=CC(=NN3C(=N2)N)C4=CC=CO4
InChI
InChI=1S/C15H11N5O2/c16-14-18-15(22-10-5-2-1-3-6-10)17-13-9-11(19-20(13)14)12-7-4-8-21-12/h1-9H,(H2,16,17,18)
InChIKey
AXJBWVKFBDNSQF-UHFFFAOYSA-N
Compound name
7-(furan-2-yl)-2-phenoxypyrazolo[1,5-a][1,3,5]triazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

293.09128 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.09856 162.0
[M+Na]+ 316.08050 173.4
[M-H]- 292.08400 169.6
[M+NH4]+ 311.12510 174.5
[M+K]+ 332.05444 169.3
[M+H-H2O]+ 276.08854 151.9
[M+HCOO]- 338.08948 184.6
[M+CH3COO]- 352.10513 174.5
[M+Na-2H]- 314.06595 167.6
[M]+ 293.09073 165.7
[M]- 293.09183 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

No literature data available for this compound.

Patent stripe

patents stripe