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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	214.09749	146.8
[M+Na]+	236.07943	155.6
[M-H]-	212.08293	149.3
[M+NH4]+	231.12403	161.1
[M+K]+	252.05337	151.3
[M+H-H2O]+	196.08747	137.1
[M+HCOO]-	258.08841	168.2
[M+CH3COO]-	272.10406	186.6
[M+Na-2H]-	234.06488	155.4
[M]+	213.08966	147.7
[M]-	213.09076	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe