CID 383581

Nsc671999

Structural Information

Molecular Formula
C19H21F6N5O4S
SMILES
CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)OC(C)C
InChI
InChI=1S/C19H21F6N5O4S/c1-10(2)34-16(31)29-17(18(20,21)22,19(23,24)25)28-13-5-7-14(8-6-13)35(32,33)30-15-9-11(3)26-12(4)27-15/h5-10,28H,1-4H3,(H,29,31)(H,26,27,30)
InChIKey
BRGURBGUGHYAFY-UHFFFAOYSA-N
Compound name
propan-2-yl N-[2-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]anilino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.1218 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.12908 212.7
[M+Na]+ 552.11102 217.9
[M-H]- 528.11452 209.0
[M+NH4]+ 547.15562 214.9
[M+K]+ 568.08496 213.4
[M+H-H2O]+ 512.11906 198.8
[M+HCOO]- 574.12000 217.2
[M+CH3COO]- 588.13565 247.3
[M+Na-2H]- 550.09647 216.2
[M]+ 529.12125 208.1
[M]- 529.12235 208.1
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.