CID 24063

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

Structural Information

Molecular Formula
C16H13N3O
SMILES
COC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H13N3O/c1-20-16-17-14(12-8-4-2-5-9-12)15(18-19-16)13-10-6-3-7-11-13/h2-11H,1H3
InChIKey
WIYOPYDPWIXASZ-UHFFFAOYSA-N
Compound name
3-methoxy-5,6-diphenyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

263.10587 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11315 160.9
[M+Na]+ 286.09509 169.8
[M-H]- 262.09859 166.6
[M+NH4]+ 281.13969 172.8
[M+K]+ 302.06903 164.2
[M+H-H2O]+ 246.10313 149.6
[M+HCOO]- 308.10407 181.8
[M+CH3COO]- 322.11972 172.3
[M+Na-2H]- 284.08054 169.0
[M]+ 263.10532 161.4
[M]- 263.10642 161.4
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