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

15
Patents

293.11642 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.123696 169.1
[M+Na]+ 316.105638 178.2
[M-H]- 292.109144 175.1
[M+NH4]+ 311.150243 179.9
[M+K]+ 332.079578 173.1
[M+H-H2O]+ 276.113680 157.5
[M+HCOO]- 338.114621 189.8
[M+CH3COO]- 352.130271 180.2
[M+Na-2H]- 314.091086 175.8
[M]+ 293.11587142 171.6
[M]- 293.11696858 171.6
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