CID 384766

Nsc675202

Structural Information

Molecular Formula
C18H19F6N5O4S
SMILES
CCCC(=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/C18H19F6N5O4S/c1-3-4-14(30)26-16(17(19,20)21,18(22,23)24)25-11-5-7-12(8-6-11)34(31,32)29-13-9-10-15(33-2)28-27-13/h5-10,25H,3-4H2,1-2H3,(H,26,30)(H,27,29)
InChIKey
SZSRZXZCOJFVEG-UHFFFAOYSA-N
Compound name
N-[1,1,1,3,3,3-hexafluoro-2-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]anilino]propan-2-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.1062 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.11348 208.6
[M+Na]+ 538.09542 213.7
[M-H]- 514.09892 204.6
[M+NH4]+ 533.14002 211.0
[M+K]+ 554.06936 208.5
[M+H-H2O]+ 498.10346 194.3
[M+HCOO]- 560.10440 214.4
[M+CH3COO]- 574.12005 243.0
[M+Na-2H]- 536.08087 214.0
[M]+ 515.10565 203.8
[M]- 515.10675 203.8
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.