CID 25016417

951120-33-5

Structural Information

Molecular Formula
C14H8ClF2N3O2S
SMILES
C1=CC(=C(C(=C1OCC2=NC3=C(S2)N=CC(=C3)Cl)F)C(=O)N)F
InChI
InChI=1S/C14H8ClF2N3O2S/c15-6-3-8-14(19-4-6)23-10(20-8)5-22-9-2-1-7(16)11(12(9)17)13(18)21/h1-4H,5H2,(H2,18,21)
InChIKey
INYJNSBDHOVLAH-UHFFFAOYSA-N
Compound name
3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

41
References

35
Patents

354.9994 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.00668 171.8
[M+Na]+ 377.98862 184.7
[M+NH4]+ 373.03322 178.2
[M+K]+ 393.96256 178.1
[M-H]- 353.99212 172.5
[M+Na-2H]- 375.97407 177.3
[M]+ 354.99885 174.4
[M]- 354.99995 174.4
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

patents stripe