CID 1646648

1-(3,4-dichlorophenyl)-3-(2-methoxyethyl)urea

Structural Information

Molecular Formula
C10H12Cl2N2O2
SMILES
COCCNC(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H12Cl2N2O2/c1-16-5-4-13-10(15)14-7-2-3-8(11)9(12)6-7/h2-3,6H,4-5H2,1H3,(H2,13,14,15)
InChIKey
WBNQQWKVEGRXHQ-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-(2-methoxyethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0276 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.034876 154.9
[M+Na]+ 285.016818 163.2
[M-H]- 261.020324 158.1
[M+NH4]+ 280.061423 172.7
[M+K]+ 300.990758 158.4
[M+H-H2O]+ 245.024860 150.3
[M+HCOO]- 307.025801 171.2
[M+CH3COO]- 321.041451 197.5
[M+Na-2H]- 283.002266 159.1
[M]+ 262.02705142 158.9
[M]- 262.02814858 158.9
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.