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]+ 243.089476 153.8
[M+Na]+ 265.071418 160.4
[M-H]- 241.074924 156.2
[M+NH4]+ 260.116023 171.2
[M+K]+ 281.045358 156.5
[M+H-H2O]+ 225.079460 148.8
[M+HCOO]- 287.080401 171.9
[M+CH3COO]- 301.096051 192.7
[M+Na-2H]- 263.056866 159.3
[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.