CID 73265272

Bms-3

Structural Information

Molecular Formula
C17H12Cl2F2N4OS
SMILES
C1CC1C(=O)NC2=NC=C(S2)C3=CC(=NN3C4=C(C=CC=C4Cl)Cl)C(F)F
InChI
InChI=1S/C17H12Cl2F2N4OS/c18-9-2-1-3-10(19)14(9)25-12(6-11(24-25)15(20)21)13-7-22-17(27-13)23-16(26)8-4-5-8/h1-3,6-8,15H,4-5H2,(H,22,23,26)
InChIKey
YBGGBHCJSAEIAS-UHFFFAOYSA-N
Compound name
N-[5-[2-(2,6-dichlorophenyl)-5-(difluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

83
Patents

428.0077 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.01498 189.3
[M+Na]+ 450.99692 202.1
[M+NH4]+ 446.04152 195.5
[M+K]+ 466.97086 198.3
[M-H]- 427.00042 197.4
[M+Na-2H]- 448.98237 197.7
[M]+ 428.00715 195.0
[M]- 428.00825 195.0
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