CID 69050

Ethyl diphenylcarbamate

Structural Information

Molecular Formula

C₁₅H₁₅NO₂

SMILES

CCOC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C15H15NO2/c1-2-18-15(17)16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3

InChIKey

HKTSLDUAGCAISP-UHFFFAOYSA-N

Compound name

ethyl N,N-diphenylcarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 365
Patents: 241.11028 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]+	242.117556	154.9
[M+Na]+	264.099498	160.3
[M-H]-	240.103004	162.6
[M+NH4]+	259.144103	172.1
[M+K]+	280.073438	158.5
[M+H-H2O]+	224.107540	146.6
[M+HCOO]-	286.108481	180.1
[M+CH3COO]-	300.124131	196.1
[M+Na-2H]-	262.084946	160.7
[M]+	241.10973142	156.1
[M]-	241.11082858	156.1

Literature stripe

literature stripe

Patent stripe

patents stripe