CID 118849

35629-49-3

Structural Information

Molecular Formula
C10H8ClN3O2
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)NC2=NC=CO2
InChI
InChI=1S/C10H8ClN3O2/c11-7-2-1-3-8(6-7)13-9(15)14-10-12-4-5-16-10/h1-6H,(H2,12,13,14,15)
InChIKey
WCSFICOQZXHPAJ-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(1,3-oxazol-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0305 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.037776 149.7
[M+Na]+ 260.019718 157.9
[M-H]- 236.023224 156.1
[M+NH4]+ 255.064323 166.5
[M+K]+ 275.993658 155.0
[M+H-H2O]+ 220.027760 142.3
[M+HCOO]- 282.028701 171.0
[M+CH3COO]- 296.044351 190.1
[M+Na-2H]- 258.005166 156.4
[M]+ 237.02995142 151.7
[M]- 237.03104858 151.7
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

patents stripe