CID 142495601

1-[(6,7-dichloro-1-benzofuran-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea

Structural Information

Molecular Formula
C14H8Cl2F3N3O2S
SMILES
C1=CC(=C(C2=C1C(=CO2)CNC(=O)NC3=NC=C(S3)C(F)(F)F)Cl)Cl
InChI
InChI=1S/C14H8Cl2F3N3O2S/c15-8-2-1-7-6(5-24-11(7)10(8)16)3-20-12(23)22-13-21-4-9(25-13)14(17,18)19/h1-2,4-5H,3H2,(H2,20,21,22,23)
InChIKey
DBIMCCFRFWNKQG-UHFFFAOYSA-N
Compound name
1-[(6,7-dichloro-1-benzofuran-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

408.96664 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.97392 181.2
[M+Na]+ 431.95586 190.0
[M+NH4]+ 427.00046 186.2
[M+K]+ 447.92980 186.3
[M-H]- 407.95936 180.8
[M+Na-2H]- 429.94131 184.2
[M]+ 408.96609 182.9
[M]- 408.96719 182.9
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