CID 3053049

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

Structural Information

Molecular Formula
C17H15N3O
SMILES
CCOC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H15N3O/c1-2-21-17-18-15(13-9-5-3-6-10-13)16(19-20-17)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKey
DIYFATCYQYEDRX-UHFFFAOYSA-N
Compound name
3-ethoxy-5,6-diphenyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

277.12152 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.128796 165.4
[M+Na]+ 300.110738 173.8
[M-H]- 276.114244 170.9
[M+NH4]+ 295.155343 176.6
[M+K]+ 316.084678 168.0
[M+H-H2O]+ 260.118780 153.8
[M+HCOO]- 322.119721 185.9
[M+CH3COO]- 336.135371 176.3
[M+Na-2H]- 298.096186 172.9
[M]+ 277.12097142 166.1
[M]- 277.12206858 166.1
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