CID 13519230

86514-37-6

Structural Information

Molecular Formula

C₁₅H₁₆N₂O₂

SMILES

CCOC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2N

InChI

InChI=1S/C15H16N2O2/c1-2-19-15(18)17(12-8-4-3-5-9-12)14-11-7-6-10-13(14)16/h3-11H,2,16H2,1H3

InChIKey

VQDKFHKDYVWQCC-UHFFFAOYSA-N

Compound name

ethyl N-(2-aminophenyl)-N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 256.1212 Da
Monoisotopic Mass: 2.2
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]+	257.12848	159.0
[M+Na]+	279.11042	164.5
[M-H]-	255.11392	166.5
[M+NH4]+	274.15502	175.3
[M+K]+	295.08436	162.5
[M+H-H2O]+	239.11846	150.6
[M+HCOO]-	301.11940	184.6
[M+CH3COO]-	315.13505	201.6
[M+Na-2H]-	277.09587	163.5
[M]+	256.12065	159.0
[M]-	256.12175	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe