CID 3058055

74417-15-5

Structural Information

Molecular Formula
C21H14ClN3O
SMILES
C1=CC=C(C=C1)C2=C(N=NC(=N2)OC3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C21H14ClN3O/c22-17-11-13-18(14-12-17)26-21-23-19(15-7-3-1-4-8-15)20(24-25-21)16-9-5-2-6-10-16/h1-14H
InChIKey
FFNLKVDSJPIJAN-UHFFFAOYSA-N
Compound name
3-(4-chlorophenoxy)-5,6-diphenyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.08255 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.08983 184.8
[M+Na]+ 382.07177 194.0
[M-H]- 358.07527 192.8
[M+NH4]+ 377.11637 192.9
[M+K]+ 398.04571 185.4
[M+H-H2O]+ 342.07981 171.6
[M+HCOO]- 404.08075 200.0
[M+CH3COO]- 418.09640 194.4
[M+Na-2H]- 380.05722 191.0
[M]+ 359.08200 186.5
[M]- 359.08310 186.5
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

No patent data available for this compound.