CID 3058046

As-triazine, 3-(benzyloxy)-5-phenyl-

Structural Information

Molecular Formula
C16H13N3O
SMILES
C1=CC=C(C=C1)COC2=NC(=CN=N2)C3=CC=CC=C3
InChI
InChI=1S/C16H13N3O/c1-3-7-13(8-4-1)12-20-16-18-15(11-17-19-16)14-9-5-2-6-10-14/h1-11H,12H2
InChIKey
UPBLLHHGQZQDOB-UHFFFAOYSA-N
Compound name
5-phenyl-3-phenylmethoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.10587 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11315 160.3
[M+Na]+ 286.09509 168.2
[M-H]- 262.09859 165.5
[M+NH4]+ 281.13969 171.8
[M+K]+ 302.06903 162.6
[M+H-H2O]+ 246.10313 148.8
[M+HCOO]- 308.10407 181.1
[M+CH3COO]- 322.11972 171.3
[M+Na-2H]- 284.08054 169.1
[M]+ 263.10532 160.3
[M]- 263.10642 160.3
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.