CID 474024

178981-81-2

Structural Information

Molecular Formula
C16H16Cl2F3N3OS
SMILES
CC(C)C1=C(N(C(=N1)CNC(=O)C(F)(F)F)C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C16H16Cl2F3N3OS/c1-8(2)13-14(26-11-5-9(17)4-10(18)6-11)24(3)12(23-13)7-22-15(25)16(19,20)21/h4-6,8H,7H2,1-3H3,(H,22,25)
InChIKey
GUMCGSYDLKPJDS-UHFFFAOYSA-N
Compound name
N-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methyl]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

425.03433 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.04161 188.9
[M+Na]+ 448.02355 199.3
[M-H]- 424.02705 189.8
[M+NH4]+ 443.06815 200.7
[M+K]+ 463.99749 191.6
[M+H-H2O]+ 408.03159 180.0
[M+HCOO]- 470.03253 190.9
[M+CH3COO]- 484.04818 224.9
[M+Na-2H]- 446.00900 184.0
[M]+ 425.03378 192.9
[M]- 425.03488 192.9
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