CID 15955991

1-[[5-(3,5-difluorophenyl)-2-hydroxy-benzoyl]amino]-3-phenyl-thiourea

Structural Information

Molecular Formula
C20H15F2N3O2S
SMILES
C1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C=CC(=C2)C3=CC(=CC(=C3)F)F)O
InChI
InChI=1S/C20H15F2N3O2S/c21-14-8-13(9-15(22)11-14)12-6-7-18(26)17(10-12)19(27)24-25-20(28)23-16-4-2-1-3-5-16/h1-11,26H,(H,24,27)(H2,23,25,28)
InChIKey
ISOXAFJWYVFDRT-UHFFFAOYSA-N
Compound name
1-[[5-(3,5-difluorophenyl)-2-hydroxybenzoyl]amino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.0853 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.09258 189.3
[M+Na]+ 422.07452 195.3
[M-H]- 398.07802 195.1
[M+NH4]+ 417.11912 198.9
[M+K]+ 438.04846 187.9
[M+H-H2O]+ 382.08256 178.2
[M+HCOO]- 444.08350 205.8
[M+CH3COO]- 458.09915 224.3
[M+Na-2H]- 420.05997 189.6
[M]+ 399.08475 185.8
[M]- 399.08585 185.8
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.