CID 384767

Nsc675203

Structural Information

Molecular Formula
C19H21F6N5O4S
SMILES
CC(C)CC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)OC
InChI
InChI=1S/C19H21F6N5O4S/c1-11(2)10-15(31)27-17(18(20,21)22,19(23,24)25)26-12-4-6-13(7-5-12)35(32,33)30-14-8-9-16(34-3)29-28-14/h4-9,11,26H,10H2,1-3H3,(H,27,31)(H,28,30)
InChIKey
AZZCLSSLIAFDBY-UHFFFAOYSA-N
Compound name
N-[1,1,1,3,3,3-hexafluoro-2-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]anilino]propan-2-yl]-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.1218 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.12908 211.4
[M+Na]+ 552.11102 215.7
[M-H]- 528.11452 207.4
[M+NH4]+ 547.15562 213.2
[M+K]+ 568.08496 211.1
[M+H-H2O]+ 512.11906 197.3
[M+HCOO]- 574.12000 216.0
[M+CH3COO]- 588.13565 246.6
[M+Na-2H]- 550.09647 215.6
[M]+ 529.12125 206.5
[M]- 529.12235 206.5
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.