CID 139597721

Dtxsid501028741

Structural Information

Molecular Formula
C14H15F3N6O3S
SMILES
CC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F)N
InChI
InChI=1S/C14H15F3N6O3S/c1-8-19-11(18)21-12(20-8)22-13(24)23-27(25,26)10-5-3-2-4-9(10)6-7-14(15,16)17/h2-5H,6-7H2,1H3,(H4,18,19,20,21,22,23,24)
InChIKey
WRYWRIIVQBZZMZ-UHFFFAOYSA-N
Compound name
1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenyl]sulfonylurea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

404.08783 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.09511 179.9
[M+Na]+ 427.07705 185.3
[M+NH4]+ 422.12165 180.8
[M+K]+ 443.05099 182.3
[M-H]- 403.08055 176.0
[M+Na-2H]- 425.06250 183.2
[M]+ 404.08728 179.2
[M]- 404.08838 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.