CID 383570

Nsc671988

Structural Information

Molecular Formula
C19H21F6N5O5S
SMILES
CCCCOC(=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/C19H21F6N5O5S/c1-3-4-11-35-16(31)27-17(18(20,21)22,19(23,24)25)26-12-5-7-13(8-6-12)36(32,33)30-14-9-10-15(34-2)29-28-14/h5-10,26H,3-4,11H2,1-2H3,(H,27,31)(H,28,30)
InChIKey
DZMSWCNJNHVUKE-UHFFFAOYSA-N
Compound name
butyl 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

545.11676 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.12404 215.2
[M+Na]+ 568.10598 219.5
[M-H]- 544.10948 211.0
[M+NH4]+ 563.15058 216.3
[M+K]+ 584.07992 214.9
[M+H-H2O]+ 528.11402 200.6
[M+HCOO]- 590.11496 220.9
[M+CH3COO]- 604.13061 247.3
[M+Na-2H]- 566.09143 220.7
[M]+ 545.11621 212.0
[M]- 545.11731 212.0
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.