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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08948 163.6
[M+Na]+ 301.07142 175.9
[M+NH4]+ 296.11602 171.7
[M+K]+ 317.04536 171.2
[M-H]- 277.07492 169.5
[M+Na-2H]- 299.05687 170.6
[M]+ 278.08165 167.2
[M]- 278.08275 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.