CID 5289460

3-[[(methylamino)sulfonyl]amino]-2-oxo-6-phenyl-n-[3,3,3-trifluoro-1-(1-methylethyl)-2-oxophenyl]-1(2h)-pyridine acetamide

Structural Information

Molecular Formula
C20H23F3N4O5S
SMILES
CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)CN1C(=CC=C(C1=O)NS(=O)(=O)NC)C2=CC=CC=C2
InChI
InChI=1S/C20H23F3N4O5S/c1-12(2)17(18(29)20(21,22)23)25-16(28)11-27-15(13-7-5-4-6-8-13)10-9-14(19(27)30)26-33(31,32)24-3/h4-10,12,17,24,26H,11H2,1-3H3,(H,25,28)/t17-/m0/s1
InChIKey
MYFMPKCOIMRDDD-KRWDZBQOSA-N
Compound name
2-[3-(methylsulfamoylamino)-2-oxo-6-phenylpyridin-1-yl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.13412 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.14140 206.5
[M+Na]+ 511.12334 210.1
[M-H]- 487.12684 207.3
[M+NH4]+ 506.16794 211.1
[M+K]+ 527.09728 206.3
[M+H-H2O]+ 471.13138 194.8
[M+HCOO]- 533.13232 216.7
[M+CH3COO]- 547.14797 242.8
[M+Na-2H]- 509.10879 206.3
[M]+ 488.13357 205.7
[M]- 488.13467 205.7
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

No patent data available for this compound.