CID 727852

381698-55-1

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]+ 252.053436 154.9
[M+Na]+ 274.035378 163.7
[M-H]- 250.038884 161.6
[M+NH4]+ 269.079983 171.5
[M+K]+ 290.009318 160.4
[M+H-H2O]+ 234.043420 147.6
[M+HCOO]- 296.044361 175.9
[M+CH3COO]- 310.060011 194.3
[M+Na-2H]- 272.020826 160.3
[M]+ 251.04561142 157.6
[M]- 251.04670858 157.6
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.