CID 53870747

60561-40-2

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

C1=CC=C(C=C1)N(C=O)C(=O)N

InChI

InChI=1S/C8H8N2O2/c9-8(12)10(6-11)7-4-2-1-3-5-7/h1-6H,(H2,9,12)

InChIKey

CLLYCRMQXTVWSB-UHFFFAOYSA-N

Compound name

N-carbamoyl-N-phenylformamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 72
Patents: 164.05858 Da
Monoisotopic Mass: 1.1
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]+	165.065856	132.3
[M+Na]+	187.047798	138.8
[M-H]-	163.051304	137.0
[M+NH4]+	182.092403	152.3
[M+K]+	203.021738	138.4
[M+H-H2O]+	147.055840	125.7
[M+HCOO]-	209.056781	159.0
[M+CH3COO]-	223.072431	183.3
[M+Na-2H]-	185.033246	138.5
[M]+	164.05803142	131.2
[M]-	164.05912858	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe