CID 71561915

Cdki-73

Structural Information

Molecular Formula
C15H15FN6O2S2
SMILES
CC1=C(SC(=N1)NC)C2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N
InChI
InChI=1S/C15H15FN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
InChIKey
GAIOPWBQKZMUNO-UHFFFAOYSA-N
Compound name
3-[[5-fluoro-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

350
Patents

394.0682 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.07548 183.9
[M+Na]+ 417.05742 193.7
[M+NH4]+ 412.10202 188.7
[M+K]+ 433.03136 187.5
[M-H]- 393.06092 186.8
[M+Na-2H]- 415.04287 190.5
[M]+ 394.06765 186.6
[M]- 394.06875 186.6
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