CID 3053045

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

Structural Information

Molecular Formula
C12H11N3O
SMILES
C=CCOC1=NC(=CN=N1)C2=CC=CC=C2
InChI
InChI=1S/C12H11N3O/c1-2-8-16-12-14-11(9-13-15-12)10-6-4-3-5-7-10/h2-7,9H,1,8H2
InChIKey
OMSTUZAGATUSPG-UHFFFAOYSA-N
Compound name
5-phenyl-3-prop-2-enoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

213.09021 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.09749 147.2
[M+Na]+ 236.07943 162.9
[M+NH4]+ 231.12403 154.8
[M+K]+ 252.05337 154.9
[M-H]- 212.08293 150.1
[M+Na-2H]- 234.06488 157.3
[M]+ 213.08966 150.3
[M]- 213.09076 150.3
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

patents stripe