CID 1889993

Fatostatin

Structural Information

Molecular Formula
C18H18N2S
SMILES
CCCC1=NC=CC(=C1)C2=NC(=CS2)C3=CC=C(C=C3)C
InChI
InChI=1S/C18H18N2S/c1-3-4-16-11-15(9-10-19-16)18-20-17(12-21-18)14-7-5-13(2)6-8-14/h5-12H,3-4H2,1-2H3
InChIKey
ZROSUBKIGBSZCG-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-2-(2-propylpyridin-4-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

58
References

265
Patents

294.11908 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12636 168.3
[M+Na]+ 317.10830 178.3
[M-H]- 293.11180 176.3
[M+NH4]+ 312.15290 183.9
[M+K]+ 333.08224 171.8
[M+H-H2O]+ 277.11634 159.5
[M+HCOO]- 339.11728 186.2
[M+CH3COO]- 353.13293 180.4
[M+Na-2H]- 315.09375 168.6
[M]+ 294.11853 171.6
[M]- 294.11963 171.6
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