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: 53
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]+	165.06586	133.4
[M+Na]+	187.04780	143.7
[M+NH4]+	182.09240	141.0
[M+K]+	203.02174	139.0
[M-H]-	163.05130	135.7
[M+Na-2H]-	185.03325	139.9
[M]+	164.05803	135.1
[M]-	164.05913	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe