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]+ 298.07418 166.2
[M+Na]+ 320.05612 175.6
[M-H]- 296.05962 171.4
[M+NH4]+ 315.10072 177.4
[M+K]+ 336.03006 168.6
[M+H-H2O]+ 280.06416 154.9
[M+HCOO]- 342.06510 182.2
[M+CH3COO]- 356.08075 177.0
[M+Na-2H]- 318.04157 173.7
[M]+ 297.06635 168.7
[M]- 297.06745 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.