CID 202727

As-triazine, 5,6-diphenyl-3-phenoxy-

Structural Information

Molecular Formula
C21H15N3O
SMILES
C1=CC=C(C=C1)C2=C(N=NC(=N2)OC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H15N3O/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-24-21(22-19)25-18-14-8-3-9-15-18/h1-15H
InChIKey
KIDYNQAPDBOURC-UHFFFAOYSA-N
Compound name
3-phenoxy-5,6-diphenyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

325.12152 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.12880 178.4
[M+Na]+ 348.11074 186.1
[M-H]- 324.11424 186.5
[M+NH4]+ 343.15534 186.7
[M+K]+ 364.08468 178.6
[M+H-H2O]+ 308.11878 165.1
[M+HCOO]- 370.11972 198.4
[M+CH3COO]- 384.13537 188.2
[M+Na-2H]- 346.09619 186.0
[M]+ 325.12097 177.4
[M]- 325.12207 177.4
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