CID 4153576

1-acetyl-3-(3,4-dichlorophenyl)-1-methylurea

Structural Information

Molecular Formula
C10H10Cl2N2O2
SMILES
CC(=O)N(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H10Cl2N2O2/c1-6(15)14(2)10(16)13-7-3-4-8(11)9(12)5-7/h3-5H,1-2H3,(H,13,16)
InChIKey
JYJORMALUFUJIN-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)carbamoyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.01193 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.01921 153.5
[M+Na]+ 283.00115 162.2
[M-H]- 259.00465 158.5
[M+NH4]+ 278.04575 172.0
[M+K]+ 298.97509 158.7
[M+H-H2O]+ 243.00919 149.1
[M+HCOO]- 305.01013 169.7
[M+CH3COO]- 319.02578 200.2
[M+Na-2H]- 280.98660 155.9
[M]+ 260.01138 157.7
[M]- 260.01248 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe