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]+ 278.12880 165.4
[M+Na]+ 300.11074 173.8
[M-H]- 276.11424 170.9
[M+NH4]+ 295.15534 176.6
[M+K]+ 316.08468 168.0
[M+H-H2O]+ 260.11878 153.8
[M+HCOO]- 322.11972 185.9
[M+CH3COO]- 336.13537 176.3
[M+Na-2H]- 298.09619 172.9
[M]+ 277.12097 166.1
[M]- 277.12207 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