CID 44181912

1184916-95-7

Structural Information

Molecular Formula
C16H14F3N3OS
SMILES
CC1=C(C=CN=C1C2=NC3=CC=CC=C3N2SC)OCC(F)(F)F
InChI
InChI=1S/C16H14F3N3OS/c1-10-13(23-9-16(17,18)19)7-8-20-14(10)15-21-11-5-3-4-6-12(11)22(15)24-2/h3-8H,9H2,1-2H3
InChIKey
RZSYMONMXLYBMJ-UHFFFAOYSA-N
Compound name
1-methylsulfanyl-2-[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

353.08096 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.08824 179.2
[M+Na]+ 376.07018 190.7
[M+NH4]+ 371.11478 184.4
[M+K]+ 392.04412 184.0
[M-H]- 352.07368 177.5
[M+Na-2H]- 374.05563 184.0
[M]+ 353.08041 180.7
[M]- 353.08151 180.7
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