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]+ 252.05344 154.9
[M+Na]+ 274.03538 163.7
[M-H]- 250.03888 161.6
[M+NH4]+ 269.07998 171.5
[M+K]+ 290.00932 160.4
[M+H-H2O]+ 234.04342 147.6
[M+HCOO]- 296.04436 175.9
[M+CH3COO]- 310.06001 194.3
[M+Na-2H]- 272.02083 160.3
[M]+ 251.04561 157.6
[M]- 251.04671 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.