CID 853712

522660-63-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0822 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08948 153.8
[M+Na]+ 265.07142 160.4
[M-H]- 241.07492 156.2
[M+NH4]+ 260.11602 171.2
[M+K]+ 281.04536 156.5
[M+H-H2O]+ 225.07946 148.8
[M+HCOO]- 287.08040 171.9
[M+CH3COO]- 301.09605 192.7
[M+Na-2H]- 263.05687 159.3
[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.