CID 15955994

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

Structural Information

Molecular Formula
C20H21F2N3O2S
SMILES
C1CCC(CC1)NC(=S)NNC(=O)C2=C(C=CC(=C2)C3=CC(=CC(=C3)F)F)O
InChI
InChI=1S/C20H21F2N3O2S/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/h6-11,16,26H,1-5H2,(H,24,27)(H2,23,25,28)
InChIKey
FIKXSWCUCWUCSV-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[[5-(3,5-difluorophenyl)-2-hydroxybenzoyl]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.13226 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13954 190.8
[M+Na]+ 428.12148 193.8
[M-H]- 404.12498 195.2
[M+NH4]+ 423.16608 199.9
[M+K]+ 444.09542 187.0
[M+H-H2O]+ 388.12952 180.0
[M+HCOO]- 450.13046 203.1
[M+CH3COO]- 464.14611 225.4
[M+Na-2H]- 426.10693 188.6
[M]+ 405.13171 183.1
[M]- 405.13281 183.1
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.