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]+ 251.05818 155.6
[M+Na]+ 273.04012 163.0
[M-H]- 249.04362 163.1
[M+NH4]+ 268.08472 173.2
[M+K]+ 289.01406 159.6
[M+H-H2O]+ 233.04816 149.0
[M+HCOO]- 295.04910 177.5
[M+CH3COO]- 309.06475 193.4
[M+Na-2H]- 271.02557 161.2
[M]+ 250.05035 157.8
[M]- 250.05145 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.