CID 5204080

1-acetyl-3-(4-chlorophenyl)-1-ethylurea

Structural Information

Molecular Formula
C11H13ClN2O2
SMILES
CCN(C(=O)C)C(=O)NC1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H13ClN2O2/c1-3-14(8(2)15)11(16)13-10-6-4-9(12)5-7-10/h4-7H,3H2,1-2H3,(H,13,16)
InChIKey
RKSBZTLNZPUAQM-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)carbamoyl]-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.06656 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07384 152.7
[M+Na]+ 263.05578 159.7
[M-H]- 239.05928 157.8
[M+NH4]+ 258.10038 171.3
[M+K]+ 279.02972 157.4
[M+H-H2O]+ 223.06382 146.9
[M+HCOO]- 285.06476 173.6
[M+CH3COO]- 299.08041 197.6
[M+Na-2H]- 261.04123 156.0
[M]+ 240.06601 155.6
[M]- 240.06711 155.6
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.