CID 3053031

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

Structural Information

Molecular Formula
C14H11N5O
SMILES
COC1=NC(=C(N=N1)C2=CC=CC=N2)C3=CC=CC=N3
InChI
InChI=1S/C14H11N5O/c1-20-14-17-12(10-6-2-4-8-15-10)13(18-19-14)11-7-3-5-9-16-11/h2-9H,1H3
InChIKey
MLUIUAAAHCMGQS-UHFFFAOYSA-N
Compound name
3-methoxy-5,6-dipyridin-2-yl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

265.09637 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10365 162.2
[M+Na]+ 288.08559 171.9
[M-H]- 264.08909 165.3
[M+NH4]+ 283.13019 171.0
[M+K]+ 304.05953 165.8
[M+H-H2O]+ 248.09363 149.7
[M+HCOO]- 310.09457 180.7
[M+CH3COO]- 324.11022 172.6
[M+Na-2H]- 286.07104 171.2
[M]+ 265.09582 162.7
[M]- 265.09692 162.7
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