CID 4059872

N-(3,4-dichlorophenyl)-n'-(2-methoxy-1-methylethyl)urea

Structural Information

Molecular Formula
C11H14Cl2N2O2
SMILES
CC(COC)NC(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H14Cl2N2O2/c1-7(6-17-2)14-11(16)15-8-3-4-9(12)10(13)5-8/h3-5,7H,6H2,1-2H3,(H2,14,15,16)
InChIKey
MANQLCARCHFMAP-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-(1-methoxypropan-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.04324 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.05052 158.7
[M+Na]+ 299.03246 170.2
[M+NH4]+ 294.07706 166.2
[M+K]+ 315.00640 163.8
[M-H]- 275.03596 160.7
[M+Na-2H]- 297.01791 164.1
[M]+ 276.04269 161.3
[M]- 276.04379 161.3
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.