CID 11043392

Diphenyl imidodicarboxylate

Structural Information

Molecular Formula

C₁₄H₁₁NO₄

SMILES

C1=CC=C(C=C1)OC(=O)NC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C14H11NO4/c16-13(18-11-7-3-1-4-8-11)15-14(17)19-12-9-5-2-6-10-12/h1-10H,(H,15,16,17)

InChIKey

FOXXAQRNEIMDEC-UHFFFAOYSA-N

Compound name

phenyl N-phenoxycarbonylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 257.06882 Da
Monoisotopic Mass: 2.9
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]+	258.07610	156.8
[M+Na]+	280.05804	169.0
[M+NH4]+	275.10264	163.9
[M+K]+	296.03198	163.2
[M-H]-	256.06154	160.2
[M+Na-2H]-	278.04349	165.4
[M]+	257.06827	159.3
[M]-	257.06937	159.3

Literature stripe

literature stripe

Patent stripe

patents stripe