CID 154700076

Ns00117786

Structural Information

Molecular Formula
C23H22FN4O2S
SMILES
CC(C1=CC=CC=C1)NC2=[N+](C=CC(=C2)C3=C(NC(=N3)S(=O)C)C4=CC=C(C=C4)F)O
InChI
InChI=1S/C23H21FN4O2S/c1-15(16-6-4-3-5-7-16)25-20-14-18(12-13-28(20)29)22-21(26-23(27-22)31(2)30)17-8-10-19(24)11-9-17/h3-15,29H,1-2H3,(H,25,26,27)/p+1
InChIKey
XCXUHCXNRURMFV-UHFFFAOYSA-O
Compound name
4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]-1-hydroxy-N-(1-phenylethyl)pyridin-1-ium-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.14474 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.15202 196.7
[M+Na]+ 460.13396 211.9
[M+NH4]+ 455.17856 203.0
[M+K]+ 476.10790 206.0
[M-H]- 436.13746 203.0
[M+Na-2H]- 458.11941 206.5
[M]+ 437.14419 201.3
[M]- 437.14529 201.3
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

No patent data available for this compound.