CID 15955989

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

Structural Information

Molecular Formula
C17H15F2N3O2S
SMILES
C=CCNC(=S)NNC(=O)C1=C(C=CC(=C1)C2=CC(=CC(=C2)F)F)O
InChI
InChI=1S/C17H15F2N3O2S/c1-2-5-20-17(25)22-21-16(24)14-8-10(3-4-15(14)23)11-6-12(18)9-13(19)7-11/h2-4,6-9,23H,1,5H2,(H,21,24)(H2,20,22,25)
InChIKey
BNBBEFSEPPXVBT-UHFFFAOYSA-N
Compound name
1-[[5-(3,5-difluorophenyl)-2-hydroxybenzoyl]amino]-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.0853 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.09258 180.9
[M+Na]+ 386.07452 187.1
[M-H]- 362.07802 183.6
[M+NH4]+ 381.11912 192.4
[M+K]+ 402.04846 180.0
[M+H-H2O]+ 346.08256 170.8
[M+HCOO]- 408.08350 197.1
[M+CH3COO]- 422.09915 218.6
[M+Na-2H]- 384.05997 179.7
[M]+ 363.08475 177.8
[M]- 363.08585 177.8
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.