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 165.8
[M+Na]+ 301.07142 173.4
[M-H]- 277.07492 174.8
[M+NH4]+ 296.11602 183.3
[M+K]+ 317.04536 170.9
[M+H-H2O]+ 261.07946 158.9
[M+HCOO]- 323.08040 187.5
[M+CH3COO]- 337.09605 204.0
[M+Na-2H]- 299.05687 168.8
[M]+ 278.08165 170.4
[M]- 278.08275 170.4
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.