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 167.4
[M+Na]+ 320.05612 186.3
[M+NH4]+ 315.10072 176.0
[M+K]+ 336.03006 176.2
[M-H]- 296.05962 173.3
[M+Na-2H]- 318.04157 180.3
[M]+ 297.06635 172.3
[M]- 297.06745 172.3
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.