CID 384778

Nsc675214

Structural Information

Molecular Formula
C20H24F3N5O6S
SMILES
CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C)NC(=O)OCC
InChI
InChI=1S/C20H24F3N5O6S/c1-5-33-16(29)19(20(21,22)23,27-18(30)34-6-2)26-14-7-9-15(10-8-14)35(31,32)28-17-24-12(3)11-13(4)25-17/h7-11,26H,5-6H2,1-4H3,(H,27,30)(H,24,25,28)
InChIKey
KGIPRPGSWXIOOJ-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.13995 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.14723 214.7
[M+Na]+ 542.12917 218.5
[M-H]- 518.13267 214.5
[M+NH4]+ 537.17377 217.0
[M+K]+ 558.10311 215.3
[M+H-H2O]+ 502.13721 202.5
[M+HCOO]- 564.13815 224.1
[M+CH3COO]- 578.15380 245.7
[M+Na-2H]- 540.11462 218.7
[M]+ 519.13940 216.6
[M]- 519.14050 216.6
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.