CID 187655

1-(4-chlorophenyl)-3-(1-hydroxybutan-2-yl)urea

Structural Information

Molecular Formula
C11H15ClN2O2
SMILES
CCC(CO)NC(=O)NC1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H15ClN2O2/c1-2-9(7-15)13-11(16)14-10-5-3-8(12)4-6-10/h3-6,9,15H,2,7H2,1H3,(H2,13,14,16)
InChIKey
WLAQZHZJODLWGO-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(1-hydroxybutan-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0822 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08948 154.0
[M+Na]+ 265.07142 159.9
[M-H]- 241.07492 156.0
[M+NH4]+ 260.11602 171.1
[M+K]+ 281.04536 156.0
[M+H-H2O]+ 225.07946 148.5
[M+HCOO]- 287.08040 172.6
[M+CH3COO]- 301.09605 193.2
[M+Na-2H]- 263.05687 157.4
[M]+ 242.08165 154.4
[M]- 242.08275 154.4
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.