CID 2812466

Ccg-43394

Structural Information

Molecular Formula
C13H12F3N3O4S
SMILES
CC1=CC(=C(O1)C(F)(F)F)NC(=O)NC2=CC(=CC=C2)S(=O)(=O)N
InChI
InChI=1S/C13H12F3N3O4S/c1-7-5-10(11(23-7)13(14,15)16)19-12(20)18-8-3-2-4-9(6-8)24(17,21)22/h2-6H,1H3,(H2,17,21,22)(H2,18,19,20)
InChIKey
GFYKVDUIXILLAV-UHFFFAOYSA-N
Compound name
1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-(3-sulfamoylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

363.05005 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.057326 175.9
[M+Na]+ 386.039268 183.8
[M-H]- 362.042774 179.7
[M+NH4]+ 381.083873 188.2
[M+K]+ 402.013208 180.6
[M+H-H2O]+ 346.047310 166.5
[M+HCOO]- 408.048251 191.6
[M+CH3COO]- 422.063901 215.0
[M+Na-2H]- 384.024716 178.5
[M]+ 363.04950142 174.4
[M]- 363.05059858 174.4
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.