CID 142495609

2254826-29-2

Structural Information

Molecular Formula
C14H10F3N3O2S
SMILES
C1=CC=C2C(=C1)C(=CO2)CNC(=O)NC3=NC=C(S3)C(F)(F)F
InChI
InChI=1S/C14H10F3N3O2S/c15-14(16,17)11-6-19-13(23-11)20-12(21)18-5-8-7-22-10-4-2-1-3-9(8)10/h1-4,6-7H,5H2,(H2,18,19,20,21)
InChIKey
YKMXEVLTZPDMGQ-UHFFFAOYSA-N
Compound name
1-(1-benzofuran-3-ylmethyl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

341.0446 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.05188 171.5
[M+Na]+ 364.03382 178.8
[M+NH4]+ 359.07842 176.4
[M+K]+ 380.00776 176.0
[M-H]- 340.03732 171.1
[M+Na-2H]- 362.01927 175.0
[M]+ 341.04405 172.4
[M]- 341.04515 172.4
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