CID 3058052

As-triazine, 3-(benzyloxy)-5-(m-chlorophenyl)-

Structural Information

Molecular Formula
C16H12ClN3O
SMILES
C1=CC=C(C=C1)COC2=NC(=CN=N2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H12ClN3O/c17-14-8-4-7-13(9-14)15-10-18-20-16(19-15)21-11-12-5-2-1-3-6-12/h1-10H,11H2
InChIKey
AFRAALHIXSIXHV-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)-3-phenylmethoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0669 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.074176 166.2
[M+Na]+ 320.056118 175.6
[M-H]- 296.059624 171.4
[M+NH4]+ 315.100723 177.4
[M+K]+ 336.030058 168.6
[M+H-H2O]+ 280.064160 154.9
[M+HCOO]- 342.065101 182.2
[M+CH3COO]- 356.080751 177.0
[M+Na-2H]- 318.041566 173.7
[M]+ 297.06635142 168.7
[M]- 297.06744858 168.7
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

No patent data available for this compound.