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

11
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 178.4
[M+Na]+ 376.07018 191.3
[M-H]- 352.07368 179.7
[M+NH4]+ 371.11478 191.7
[M+K]+ 392.04412 184.5
[M+H-H2O]+ 336.07822 167.6
[M+HCOO]- 398.07916 190.8
[M+CH3COO]- 412.09481 189.0
[M+Na-2H]- 374.05563 179.8
[M]+ 353.08041 182.5
[M]- 353.08151 182.5
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