CID 59387

C 3211

Structural Information

Molecular Formula

C₁₄H₁₅ClN₂O₂

SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)CNCC2=CC=CO2

InChI

InChI=1S/C14H15ClN2O2/c1-10-4-2-6-12(15)14(10)17-13(18)9-16-8-11-5-3-7-19-11/h2-7,16H,8-9H2,1H3,(H,17,18)

InChIKey

SNJKPNWQBYVUBA-UHFFFAOYSA-N

Compound name

N-(2-chloro-6-methylphenyl)-2-(furan-2-ylmethylamino)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.0822 Da
Monoisotopic Mass: 1.4
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]+	279.089476	165.0
[M+Na]+	301.071418	172.4
[M-H]-	277.074924	172.5
[M+NH4]+	296.116023	181.8
[M+K]+	317.045358	168.5
[M+H-H2O]+	261.079460	158.2
[M+HCOO]-	323.080401	186.2
[M+CH3COO]-	337.096051	201.3
[M+Na-2H]-	299.056866	168.8
[M]+	278.08165142	168.4
[M]-	278.08274858	168.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.