CID 3053067

As-triazine, 5,6-di-2-furyl-3-methoxy-

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.071666 147.5
[M+Na]+ 266.053608 159.0
[M-H]- 242.057114 156.1
[M+NH4]+ 261.098213 161.6
[M+K]+ 282.027548 158.4
[M+H-H2O]+ 226.061650 139.1
[M+HCOO]- 288.062591 171.5
[M+CH3COO]- 302.078241 161.9
[M+Na-2H]- 264.039056 153.7
[M]+ 243.06384142 154.0
[M]- 243.06493858 154.0
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