CID 384768

Nsc675204

Structural Information

Molecular Formula
C18H19F6N5O3S
SMILES
CC(C)CC(=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/C18H19F6N5O3S/c1-11(2)10-14(30)28-16(17(19,20)21,18(22,23)24)27-12-4-6-13(7-5-12)33(31,32)29-15-25-8-3-9-26-15/h3-9,11,27H,10H2,1-2H3,(H,28,30)(H,25,26,29)
InChIKey
CPAKZZASGNMFCD-UHFFFAOYSA-N
Compound name
N-[1,1,1,3,3,3-hexafluoro-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]propan-2-yl]-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.11127 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.11855 203.8
[M+Na]+ 522.10049 208.2
[M-H]- 498.10399 199.6
[M+NH4]+ 517.14509 206.7
[M+K]+ 538.07443 202.9
[M+H-H2O]+ 482.10853 189.8
[M+HCOO]- 544.10947 208.6
[M+CH3COO]- 558.12512 240.3
[M+Na-2H]- 520.08594 208.6
[M]+ 499.11072 196.9
[M]- 499.11182 196.9
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.