CID 99331

1-(4-fluorophenyl)-3-(5-methylisoxazol-3-yl)urea

Structural Information

Molecular Formula
C11H10FN3O2
SMILES
CC1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C11H10FN3O2/c1-7-6-10(15-17-7)14-11(16)13-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKey
WAKQZUJXHQHOEF-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

0
Patents

235.0757 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08298 149.2
[M+Na]+ 258.06492 157.3
[M-H]- 234.06842 154.7
[M+NH4]+ 253.10952 165.5
[M+K]+ 274.03886 155.4
[M+H-H2O]+ 218.07296 140.4
[M+HCOO]- 280.07390 173.8
[M+CH3COO]- 294.08955 193.2
[M+Na-2H]- 256.05037 154.7
[M]+ 235.07515 148.8
[M]- 235.07625 148.8
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.