CID 25012898

Fgh10019

Structural Information

Molecular Formula
C18H19N3O2S2
SMILES
CCCC1=NC=CC(=C1)C2=NC(=CS2)C3=CC=C(C=C3)NS(=O)(=O)C
InChI
InChI=1S/C18H19N3O2S2/c1-3-4-16-11-14(9-10-19-16)18-20-17(12-24-18)13-5-7-15(8-6-13)21-25(2,22)23/h5-12,21H,3-4H2,1-2H3
InChIKey
OWAXXHRQPWGNTG-UHFFFAOYSA-N
Compound name
N-[4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

74
Patents

373.09186 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.09914 186.4
[M+Na]+ 396.08108 196.0
[M-H]- 372.08458 194.1
[M+NH4]+ 391.12568 198.5
[M+K]+ 412.05502 188.5
[M+H-H2O]+ 356.08912 178.3
[M+HCOO]- 418.09006 199.1
[M+CH3COO]- 432.10571 214.2
[M+Na-2H]- 394.06653 187.2
[M]+ 373.09131 190.7
[M]- 373.09241 190.7
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