CID 7572

Diphenan

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)OC(=O)N

InChI

InChI=1S/C14H13NO2/c15-14(16)17-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,16)

InChIKey

ZBJBRUSGEJORQL-UHFFFAOYSA-N

Compound name

(4-benzylphenyl) carbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 613
Patents: 227.09464 Da
Monoisotopic Mass: 3.0
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]+	228.10192	150.3
[M+Na]+	250.08386	156.9
[M-H]-	226.08736	156.5
[M+NH4]+	245.12846	167.4
[M+K]+	266.05780	153.6
[M+H-H2O]+	210.09190	142.7
[M+HCOO]-	272.09284	174.7
[M+CH3COO]-	286.10849	190.8
[M+Na-2H]-	248.06931	155.7
[M]+	227.09409	149.4
[M]-	227.09519	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe