CID 215381

35629-58-4

Structural Information

Molecular Formula
C12H12ClN3O2
SMILES
CC1=C(OC(=N1)NC(=O)NC2=CC(=CC=C2)Cl)C
InChI
InChI=1S/C12H12ClN3O2/c1-7-8(2)18-12(14-7)16-11(17)15-10-5-3-4-9(13)6-10/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKey
SNLPEUXQHXOSDG-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0618 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06908 158.6
[M+Na]+ 288.05102 171.2
[M+NH4]+ 283.09562 165.9
[M+K]+ 304.02496 167.0
[M-H]- 264.05452 163.4
[M+Na-2H]- 286.03647 165.2
[M]+ 265.06125 161.8
[M]- 265.06235 161.8
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.