CID 5017456

3-(3,4-dichlorophenyl)-1-methyl-1-propionylurea

Structural Information

Molecular Formula
C11H12Cl2N2O2
SMILES
CCC(=O)N(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H12Cl2N2O2/c1-3-10(16)15(2)11(17)14-7-4-5-8(12)9(13)6-7/h4-6H,3H2,1-2H3,(H,14,17)
InChIKey
YQDSATSVXNLTLN-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)carbamoyl]-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0276 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.03488 158.2
[M+Na]+ 297.01682 166.5
[M-H]- 273.02032 163.0
[M+NH4]+ 292.06142 176.2
[M+K]+ 312.99076 162.7
[M+H-H2O]+ 257.02486 153.6
[M+HCOO]- 319.02580 174.1
[M+CH3COO]- 333.04145 203.2
[M+Na-2H]- 295.00227 160.1
[M]+ 274.02705 162.7
[M]- 274.02815 162.7
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.