CID 187655

87919-30-0

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]+ 243.089476 154.0
[M+Na]+ 265.071418 159.9
[M-H]- 241.074924 156.0
[M+NH4]+ 260.116023 171.1
[M+K]+ 281.045358 156.0
[M+H-H2O]+ 225.079460 148.5
[M+HCOO]- 287.080401 172.6
[M+CH3COO]- 301.096051 193.2
[M+Na-2H]- 263.056866 157.4
[M]+ 242.08165142 154.4
[M]- 242.08274858 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.