CID 206794

As-triazine, 3-methoxy-5-phenyl-

Structural Information

Molecular Formula

C₁₀H₉N₃O

SMILES

COC1=NC(=CN=N1)C2=CC=CC=C2

InChI

InChI=1S/C10H9N3O/c1-14-10-12-9(7-11-13-10)8-5-3-2-4-6-8/h2-7H,1H3

InChIKey

GREANYIQYOXLMQ-UHFFFAOYSA-N

Compound name

3-methoxy-5-phenyl-1,2,4-triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 187.07455 Da
Monoisotopic Mass: 1.2
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]+	188.08183	138.8
[M+Na]+	210.06377	148.2
[M-H]-	186.06727	141.6
[M+NH4]+	205.10837	154.2
[M+K]+	226.03771	145.0
[M+H-H2O]+	170.07181	129.4
[M+HCOO]-	232.07275	160.6
[M+CH3COO]-	246.08840	151.7
[M+Na-2H]-	208.04922	148.5
[M]+	187.07400	139.7
[M]-	187.07510	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe