CID 146157

Ferene triazine

Structural Information

Molecular Formula
C16H10N4O2
SMILES
C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=CO3)C4=CC=CO4
InChI
InChI=1S/C16H10N4O2/c1-2-8-17-11(5-1)16-18-14(12-6-3-9-21-12)15(19-20-16)13-7-4-10-22-13/h1-10H
InChIKey
ILGVLLHYNIYCAR-UHFFFAOYSA-N
Compound name
5,6-bis(furan-2-yl)-3-pyridin-2-yl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

31
Patents

290.08038 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08766 161.0
[M+Na]+ 313.06960 172.1
[M-H]- 289.07310 171.2
[M+NH4]+ 308.11420 171.2
[M+K]+ 329.04354 169.1
[M+H-H2O]+ 273.07764 150.6
[M+HCOO]- 335.07858 183.1
[M+CH3COO]- 349.09423 173.8
[M+Na-2H]- 311.05505 166.3
[M]+ 290.07983 165.1
[M]- 290.08093 165.1
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