CID 383571

Nsc671989

Structural Information

Molecular Formula
C18H19F6N5O4S
SMILES
CCCCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2
InChI
InChI=1S/C18H19F6N5O4S/c1-2-3-11-33-15(30)28-16(17(19,20)21,18(22,23)24)27-12-5-7-13(8-6-12)34(31,32)29-14-25-9-4-10-26-14/h4-10,27H,2-3,11H2,1H3,(H,28,30)(H,25,26,29)
InChIKey
SWWRFFGAPVQRMW-UHFFFAOYSA-N
Compound name
butyl N-[1,1,1,3,3,3-hexafluoro-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.1062 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.11348 207.6
[M+Na]+ 538.09542 212.0
[M-H]- 514.09892 203.3
[M+NH4]+ 533.14002 209.9
[M+K]+ 554.06936 206.8
[M+H-H2O]+ 498.10346 193.2
[M+HCOO]- 560.10440 213.6
[M+CH3COO]- 574.12005 241.0
[M+Na-2H]- 536.08087 213.7
[M]+ 515.10565 202.5
[M]- 515.10675 202.5
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.