CID 215380

35629-57-3

Structural Information

Molecular Formula
C12H12ClN3O2
SMILES
CC1=C(OC(=N1)NC(=O)NC2=CC=CC=C2Cl)C
InChI
InChI=1S/C12H12ClN3O2/c1-7-8(2)18-12(14-7)16-11(17)15-10-6-4-3-5-9(10)13/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKey
MVNWYLLJNKBHDW-UHFFFAOYSA-N
Compound name
1-(2-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 160.1
[M+Na]+ 288.05102 169.3
[M-H]- 264.05452 166.9
[M+NH4]+ 283.09562 176.4
[M+K]+ 304.02496 165.8
[M+H-H2O]+ 248.05906 152.9
[M+HCOO]- 310.06000 180.6
[M+CH3COO]- 324.07565 198.5
[M+Na-2H]- 286.03647 164.2
[M]+ 265.06125 163.5
[M]- 265.06235 163.5
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