CID 65809

Urefibrate

Structural Information

Molecular Formula

C₁₅H₁₂Cl₂N₂O₄

SMILES

C1=CC(=CC=C1OC(C(=O)NC(=O)N)OC2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C15H12Cl2N2O4/c16-9-1-5-11(6-2-9)22-14(13(20)19-15(18)21)23-12-7-3-10(17)4-8-12/h1-8,14H,(H3,18,19,20,21)

InChIKey

SARMXBVJUDMWKA-UHFFFAOYSA-N

Compound name

N-carbamoyl-2,2-bis(4-chlorophenoxy)acetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 40
Patents: 354.01743 Da
Monoisotopic Mass: 4.1
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]+	355.024706	174.5
[M+Na]+	377.006648	181.5
[M-H]-	353.010154	180.4
[M+NH4]+	372.051253	187.6
[M+K]+	392.980588	177.0
[M+H-H2O]+	337.014690	168.3
[M+HCOO]-	399.015631	188.9
[M+CH3COO]-	413.031281	212.7
[M+Na-2H]-	374.992096	175.9
[M]+	354.01688142	178.7
[M]-	354.01797858	178.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe