CID 210212

5,6-bis(4-methoxyphenyl)-1,2,4-triazine

Structural Information

Molecular Formula
C17H15N3O2
SMILES
COC1=CC=C(C=C1)C2=C(N=NC=N2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C17H15N3O2/c1-21-14-7-3-12(4-8-14)16-17(20-19-11-18-16)13-5-9-15(22-2)10-6-13/h3-11H,1-2H3
InChIKey
GZMNIVGQNVQOBH-UHFFFAOYSA-N
Compound name
5,6-bis(4-methoxyphenyl)-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

293.11642 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12370 168.9
[M+Na]+ 316.10564 186.6
[M+NH4]+ 311.15024 176.5
[M+K]+ 332.07958 178.0
[M-H]- 292.10914 174.4
[M+Na-2H]- 314.09109 180.9
[M]+ 293.11587 173.2
[M]- 293.11697 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe