CID 3006469

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

Structural Information

Molecular Formula
C19H14F3N3O2S
SMILES
C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3)C(F)(F)F
InChI
InChI=1S/C19H14F3N3O2S/c20-19(21,22)12-3-1-4-15(11-12)25-18(28)24-14-8-6-13(7-9-14)23-17(26)16-5-2-10-27-16/h1-11H,(H,23,26)(H2,24,25,28)
InChIKey
VRHVRMNUCONYCR-UHFFFAOYSA-N
Compound name
N-[4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

405.0759 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.08318 190.5
[M+Na]+ 428.06512 196.4
[M-H]- 404.06862 197.1
[M+NH4]+ 423.10972 200.9
[M+K]+ 444.03906 191.2
[M+H-H2O]+ 388.07316 179.6
[M+HCOO]- 450.07410 206.6
[M+CH3COO]- 464.08975 223.9
[M+Na-2H]- 426.05057 191.7
[M]+ 405.07535 187.6
[M]- 405.07645 187.6
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.