CID 383572

Nsc671990

Structural Information

Molecular Formula
C17H17F6N5O5S
SMILES
CCOC(=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/C17H17F6N5O5S/c1-3-33-14(29)25-15(16(18,19)20,17(21,22)23)24-10-4-6-11(7-5-10)34(30,31)28-12-8-9-13(32-2)27-26-12/h4-9,24H,3H2,1-2H3,(H,25,29)(H,26,28)
InChIKey
WARAZUWQEANOJS-UHFFFAOYSA-N
Compound name
ethyl N-[1,1,1,3,3,3-hexafluoro-2-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]anilino]propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.08545 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.09273 207.0
[M+Na]+ 540.07467 212.2
[M-H]- 516.07817 203.2
[M+NH4]+ 535.11927 209.3
[M+K]+ 556.04861 208.0
[M+H-H2O]+ 500.08271 192.8
[M+HCOO]- 562.08365 213.4
[M+CH3COO]- 576.09930 241.7
[M+Na-2H]- 538.06012 213.3
[M]+ 517.08490 203.2
[M]- 517.08600 203.2
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.