CID 3053065

As-triazine, 5-(benzofuran-2-yl)-3-methoxy-

Structural Information

Molecular Formula
C12H9N3O2
SMILES
COC1=NC(=CN=N1)C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C12H9N3O2/c1-16-12-14-9(7-13-15-12)11-6-8-4-2-3-5-10(8)17-11/h2-7H,1H3
InChIKey
URQMJPXNDALFAU-UHFFFAOYSA-N
Compound name
5-(1-benzofuran-2-yl)-3-methoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

227.06947 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.076746 146.3
[M+Na]+ 250.058688 158.2
[M-H]- 226.062194 151.7
[M+NH4]+ 245.103293 162.0
[M+K]+ 266.032628 155.4
[M+H-H2O]+ 210.066730 137.3
[M+HCOO]- 272.067671 168.9
[M+CH3COO]- 286.083321 160.2
[M+Na-2H]- 248.044136 155.6
[M]+ 227.06892142 151.4
[M]- 227.07001858 151.4
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