CID 3065749

108734-88-9

Structural Information

Molecular Formula

C₂₀H₁₉N₃O₃

SMILES

CCOC(=O)C(C)N1C(=O)N=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O3/c1-3-26-19(24)14(2)23-20(25)21-17(15-10-6-4-7-11-15)18(22-23)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3

InChIKey

RCFDLAFUVHNUIO-UHFFFAOYSA-N

Compound name

ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 349.14264 Da
Monoisotopic Mass: 3.5
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]+	350.149916	183.2
[M+Na]+	372.131858	190.7
[M-H]-	348.135364	188.9
[M+NH4]+	367.176463	191.3
[M+K]+	388.105798	185.6
[M+H-H2O]+	332.139900	171.3
[M+HCOO]-	394.140841	201.4
[M+CH3COO]-	408.156491	213.2
[M+Na-2H]-	370.117306	186.1
[M]+	349.14209142	185.5
[M]-	349.14318858	185.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe