CID 383662

Nsc672080

Structural Information

Molecular Formula
C24H24F3N5O5S
SMILES
CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC(=C2)C)C)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H24F3N5O5S/c1-4-37-22(34)23(24(25,26)27,31-21(33)17-8-6-5-7-9-17)30-18-10-12-19(13-11-18)38(35,36)32-20-14-15(2)28-16(3)29-20/h5-14,30H,4H2,1-3H3,(H,31,33)(H,28,29,32)
InChIKey
VIHLCHVCVNYURN-UHFFFAOYSA-N
Compound name
ethyl 2-benzamido-2-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]anilino]-3,3,3-trifluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

551.145 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.15228 223.4
[M+Na]+ 574.13422 227.0
[M-H]- 550.13772 226.1
[M+NH4]+ 569.17882 223.8
[M+K]+ 590.10816 222.1
[M+H-H2O]+ 534.14226 210.0
[M+HCOO]- 596.14320 232.6
[M+CH3COO]- 610.15885 251.8
[M+Na-2H]- 572.11967 228.1
[M]+ 551.14445 223.1
[M]- 551.14555 223.1
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.