CID 175666

Dtxsid2073726

Structural Information

Molecular Formula
C16H20FN3OS
SMILES
CCN(C1=CC(=NS1)C2=CC=C(C=C2)F)C(=O)N(C)C(C)C
InChI
InChI=1S/C16H20FN3OS/c1-5-20(16(21)19(4)11(2)3)15-10-14(18-22-15)12-6-8-13(17)9-7-12/h6-11H,5H2,1-4H3
InChIKey
NEIAAIFFKJVXOI-UHFFFAOYSA-N
Compound name
1-ethyl-1-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-3-methyl-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

321.1311 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.13838 175.6
[M+Na]+ 344.12032 181.8
[M-H]- 320.12382 182.8
[M+NH4]+ 339.16492 191.7
[M+K]+ 360.09426 179.8
[M+H-H2O]+ 304.12836 166.1
[M+HCOO]- 366.12930 193.9
[M+CH3COO]- 380.14495 217.3
[M+Na-2H]- 342.10577 172.8
[M]+ 321.13055 179.3
[M]- 321.13165 179.3
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