CID 727852

1-(3-chlorophenyl)-3-(5-methylisoxazol-3-yl)urea

Structural Information

Molecular Formula
C11H10ClN3O2
SMILES
CC1=CC(=NO1)NC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H10ClN3O2/c1-7-5-10(15-17-7)14-11(16)13-9-4-2-3-8(12)6-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKey
RXZBIUWYGZUPHO-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

251.04616 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.05344 154.0
[M+Na]+ 274.03538 166.4
[M+NH4]+ 269.07998 161.5
[M+K]+ 290.00932 162.2
[M-H]- 250.03888 158.7
[M+Na-2H]- 272.02083 161.1
[M]+ 251.04561 157.2
[M]- 251.04671 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.