CID 3053067

69467-28-3

Structural Information

Molecular Formula

C₁₂H₉N₃O₃

SMILES

COC1=NC(=C(N=N1)C2=CC=CO2)C3=CC=CO3

InChI

InChI=1S/C12H9N3O3/c1-16-12-13-10(8-4-2-6-17-8)11(14-15-12)9-5-3-7-18-9/h2-7H,1H3

InChIKey

MSFXGHZOLNZPDL-UHFFFAOYSA-N

Compound name

5,6-bis(furan-2-yl)-3-methoxy-1,2,4-triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 243.06439 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	244.07167	147.5
[M+Na]+	266.05361	159.0
[M-H]-	242.05711	156.1
[M+NH4]+	261.09821	161.6
[M+K]+	282.02755	158.4
[M+H-H2O]+	226.06165	139.1
[M+HCOO]-	288.06259	171.5
[M+CH3COO]-	302.07824	161.9
[M+Na-2H]-	264.03906	153.7
[M]+	243.06384	154.0
[M]-	243.06494	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe