CID 3053051

As-triazine, 3-(p-methoxyphenoxy)-5-phenyl-

Structural Information

Molecular Formula
C16H13N3O2
SMILES
COC1=CC=C(C=C1)OC2=NC(=CN=N2)C3=CC=CC=C3
InChI
InChI=1S/C16H13N3O2/c1-20-13-7-9-14(10-8-13)21-16-18-15(11-17-19-16)12-5-3-2-4-6-12/h2-11H,1H3
InChIKey
CXWAMXULJDTQJJ-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenoxy)-5-phenyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.10077 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 164.0
[M+Na]+ 302.08999 172.7
[M-H]- 278.09349 169.7
[M+NH4]+ 297.13459 175.1
[M+K]+ 318.06393 167.7
[M+H-H2O]+ 262.09803 152.5
[M+HCOO]- 324.09897 185.1
[M+CH3COO]- 338.11462 175.2
[M+Na-2H]- 300.07544 172.0
[M]+ 279.10022 165.8
[M]- 279.10132 165.8
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