CID 3053028

As-triazine, 3-ethoxy-5-phenyl-

Structural Information

Molecular Formula

C₁₁H₁₁N₃O

SMILES

CCOC1=NC(=CN=N1)C2=CC=CC=C2

InChI

InChI=1S/C11H11N3O/c1-2-15-11-13-10(8-12-14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3

InChIKey

NPVKLMWFLRCRFP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 201.09021 Da
Monoisotopic Mass: 1.5
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]+	202.097486	143.3
[M+Na]+	224.079428	152.2
[M-H]-	200.082934	146.0
[M+NH4]+	219.124033	158.2
[M+K]+	240.053368	148.8
[M+H-H2O]+	184.087470	133.8
[M+HCOO]-	246.088411	164.8
[M+CH3COO]-	260.104061	155.8
[M+Na-2H]-	222.064876	152.5
[M]+	201.08966142	144.6
[M]-	201.09075858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe