CID 15955988

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

Structural Information

Molecular Formula
C15H13F2N3O2S
SMILES
CNC(=S)NNC(=O)C1=C(C=CC(=C1)C2=CC(=CC(=C2)F)F)O
InChI
InChI=1S/C15H13F2N3O2S/c1-18-15(23)20-19-14(22)12-6-8(2-3-13(12)21)9-4-10(16)7-11(17)5-9/h2-7,21H,1H3,(H,19,22)(H2,18,20,23)
InChIKey
BEPQKXZFWMLAMO-UHFFFAOYSA-N
Compound name
1-[[5-(3,5-difluorophenyl)-2-hydroxybenzoyl]amino]-3-methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.06964 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.07692 173.0
[M+Na]+ 360.05886 179.8
[M-H]- 336.06236 176.1
[M+NH4]+ 355.10346 185.7
[M+K]+ 376.03280 173.7
[M+H-H2O]+ 320.06690 163.3
[M+HCOO]- 382.06784 189.7
[M+CH3COO]- 396.08349 213.4
[M+Na-2H]- 358.04431 172.7
[M]+ 337.06909 169.9
[M]- 337.07019 169.9
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.