CID 3621981

3-amino-n-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

Structural Information

Molecular Formula
C27H21F3N6O3S2
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)N=C(C=C4C(F)(F)F)C5=CC=CC=C5)N)C
InChI
InChI=1S/C27H21F3N6O3S2/c1-14-12-15(2)33-26(32-14)36-41(38,39)18-10-8-17(9-11-18)34-24(37)23-22(31)21-19(27(28,29)30)13-20(35-25(21)40-23)16-6-4-3-5-7-16/h3-13H,31H2,1-2H3,(H,34,37)(H,32,33,36)
InChIKey
USSJRTOOFPFWTP-UHFFFAOYSA-N
Compound name
3-amino-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

598.1069 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.11418 223.5
[M+Na]+ 621.09612 232.8
[M+NH4]+ 616.14072 225.7
[M+K]+ 637.07006 226.7
[M-H]- 597.09962 225.4
[M+Na-2H]- 619.08157 230.7
[M]+ 598.10635 225.9
[M]- 598.10745 225.9
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

No patent data available for this compound.