CID 56965901

Bms-5

Structural Information

Molecular Formula
C17H14Cl2F2N4OS
SMILES
CC(C)C(=O)NC1=NC=C(S1)C2=CC(=NN2C3=C(C=CC=C3Cl)Cl)C(F)F
InChI
InChI=1S/C17H14Cl2F2N4OS/c1-8(2)16(26)23-17-22-7-13(27-17)12-6-11(15(20)21)24-25(12)14-9(18)4-3-5-10(14)19/h3-8,15H,1-2H3,(H,22,23,26)
InChIKey
IVUGBSGLHRJSSP-UHFFFAOYSA-N
Compound name
N-[5-[2-(2,6-dichlorophenyl)-5-(difluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

68
Patents

430.02335 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.03063 190.7
[M+Na]+ 453.01257 202.2
[M-H]- 429.01607 195.8
[M+NH4]+ 448.05717 202.4
[M+K]+ 468.98651 194.9
[M+H-H2O]+ 413.02061 181.3
[M+HCOO]- 475.02155 196.3
[M+CH3COO]- 489.03720 200.4
[M+Na-2H]- 450.99802 184.3
[M]+ 430.02280 197.0
[M]- 430.02390 197.0
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