CID 858198

N-(3-chlorophenyl)-n'-(2-furylmethyl)urea

Structural Information

Molecular Formula
C12H11ClN2O2
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)NCC2=CC=CO2
InChI
InChI=1S/C12H11ClN2O2/c13-9-3-1-4-10(7-9)15-12(16)14-8-11-5-2-6-17-11/h1-7H,8H2,(H2,14,15,16)
InChIKey
SFBUGIACZIJRFX-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(furan-2-ylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

250.0509 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.058176 155.6
[M+Na]+ 273.040118 163.0
[M-H]- 249.043624 163.1
[M+NH4]+ 268.084723 173.2
[M+K]+ 289.014058 159.6
[M+H-H2O]+ 233.048160 149.0
[M+HCOO]- 295.049101 177.5
[M+CH3COO]- 309.064751 193.4
[M+Na-2H]- 271.025566 161.2
[M]+ 250.05035142 157.8
[M]- 250.05144858 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.