CID 4057802

26106-56-9

Structural Information

Molecular Formula

C₁₄H₁₅ClN₂O₂

SMILES

CC1=C(C=C(C=C1)NC(=O)N(C)CC2=CC=CO2)Cl

InChI

InChI=1S/C14H15ClN2O2/c1-10-5-6-11(8-13(10)15)16-14(18)17(2)9-12-4-3-7-19-12/h3-8H,9H2,1-2H3,(H,16,18)

InChIKey

KVWMJDDPTGZZDK-UHFFFAOYSA-N

Compound name

3-(3-chloro-4-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.0822 Da
Monoisotopic Mass: 3.0
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	165.8
[M+Na]+	301.071418	173.4
[M-H]-	277.074924	174.8
[M+NH4]+	296.116023	183.3
[M+K]+	317.045358	170.9
[M+H-H2O]+	261.079460	158.9
[M+HCOO]-	323.080401	187.5
[M+CH3COO]-	337.096051	204.0
[M+Na-2H]-	299.056866	168.8
[M]+	278.08165142	170.4
[M]-	278.08274858	170.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.