CID 15955990

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

Structural Information

Molecular Formula
C16H15F2N3O2S
SMILES
CCNC(=S)NNC(=O)C1=C(C=CC(=C1)C2=CC(=CC(=C2)F)F)O
InChI
InChI=1S/C16H15F2N3O2S/c1-2-19-16(24)21-20-15(23)13-7-9(3-4-14(13)22)10-5-11(17)8-12(18)6-10/h3-8,22H,2H2,1H3,(H,20,23)(H2,19,21,24)
InChIKey
NTYULFZUMBZDDM-UHFFFAOYSA-N
Compound name
1-[[5-(3,5-difluorophenyl)-2-hydroxybenzoyl]amino]-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.0853 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.09258 177.3
[M+Na]+ 374.07452 183.6
[M-H]- 350.07802 180.2
[M+NH4]+ 369.11912 189.4
[M+K]+ 390.04846 177.4
[M+H-H2O]+ 334.08256 167.4
[M+HCOO]- 396.08350 193.6
[M+CH3COO]- 410.09915 216.3
[M+Na-2H]- 372.05997 176.6
[M]+ 351.08475 174.6
[M]- 351.08585 174.6
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.