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]+ 263.03488 154.9
[M+Na]+ 285.01682 163.2
[M-H]- 261.02032 158.1
[M+NH4]+ 280.06142 172.7
[M+K]+ 300.99076 158.4
[M+H-H2O]+ 245.02486 150.3
[M+HCOO]- 307.02580 171.2
[M+CH3COO]- 321.04145 197.5
[M+Na-2H]- 283.00227 159.1
[M]+ 262.02705 158.9
[M]- 262.02815 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.