CID 36346

33161-68-1

Structural Information

Molecular Formula

C₂₀H₂₀N₂O₃

SMILES

CCOC(=O)N(C)CC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3/c1-3-24-20(23)22(2)14-17-21-18(15-10-6-4-7-11-15)19(25-17)16-12-8-5-9-13-16/h4-13H,3,14H2,1-2H3

InChIKey

ZSDJJQHPPOGMNW-UHFFFAOYSA-N

Compound name

ethyl N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 336.1474 Da
Monoisotopic Mass: 3.8
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]+	337.154676	180.9
[M+Na]+	359.136618	187.1
[M-H]-	335.140124	191.5
[M+NH4]+	354.181223	193.5
[M+K]+	375.110558	185.3
[M+H-H2O]+	319.144660	171.0
[M+HCOO]-	381.145601	204.5
[M+CH3COO]-	395.161251	213.8
[M+Na-2H]-	357.122066	183.3
[M]+	336.14685142	185.4
[M]-	336.14794858	185.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe