CID 3006470

N-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide

Structural Information

Molecular Formula
C20H13F6N3O2S
SMILES
C1=COC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C20H13F6N3O2S/c21-19(22,23)11-8-12(20(24,25)26)10-15(9-11)29-18(32)28-14-5-3-13(4-6-14)27-17(30)16-2-1-7-31-16/h1-10H,(H,27,30)(H2,28,29,32)
InChIKey
YGZYACYQQIDKAP-UHFFFAOYSA-N
Compound name
N-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

473.06326 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.07054 202.3
[M+Na]+ 496.05248 209.1
[M-H]- 472.05598 205.2
[M+NH4]+ 491.09708 210.1
[M+K]+ 512.02642 203.2
[M+H-H2O]+ 456.06052 189.2
[M+HCOO]- 518.06146 213.2
[M+CH3COO]- 532.07711 235.8
[M+Na-2H]- 494.03793 202.0
[M]+ 473.06271 196.2
[M]- 473.06381 196.2
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

patents stripe