CID 15956004

[1,1'-biphenyl]-3-carboxylic acid, 3',5'-difluoro-4-hydroxy-, [(2e)-3-ethyl-4-oxo-2-thiazolidinylidene]hydrazide

Structural Information

Molecular Formula
C18H15F2N3O3S
SMILES
CCN\1C(=O)CS/C1=N/NC(=O)C2=C(C=CC(=C2)C3=CC(=CC(=C3)F)F)O
InChI
InChI=1S/C18H15F2N3O3S/c1-2-23-16(25)9-27-18(23)22-21-17(26)14-7-10(3-4-15(14)24)11-5-12(19)8-13(20)6-11/h3-8,24H,2,9H2,1H3,(H,21,26)/b22-18+
InChIKey
OPUMMPUZEWVFRW-RELWKKBWSA-N
Compound name
5-(3,5-difluorophenyl)-N-[(E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.08023 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.08751 187.7
[M+Na]+ 414.06945 195.9
[M-H]- 390.07295 194.3
[M+NH4]+ 409.11405 199.6
[M+K]+ 430.04339 189.6
[M+H-H2O]+ 374.07749 177.4
[M+HCOO]- 436.07843 203.6
[M+CH3COO]- 450.09408 222.8
[M+Na-2H]- 412.05490 184.2
[M]+ 391.07968 186.9
[M]- 391.08078 186.9
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.