CID 15956002

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

Structural Information

Molecular Formula
C17H13F2N3O3S
SMILES
CN\1C(=O)CS/C1=N/NC(=O)C2=C(C=CC(=C2)C3=CC(=CC(=C3)F)F)O
InChI
InChI=1S/C17H13F2N3O3S/c1-22-15(24)8-26-17(22)21-20-16(25)13-6-9(2-3-14(13)23)10-4-11(18)7-12(19)5-10/h2-7,23H,8H2,1H3,(H,20,25)/b21-17+
InChIKey
WFYZTNBHAIFEPU-HEHNFIMWSA-N
Compound name
5-(3,5-difluorophenyl)-2-hydroxy-N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.06458 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.07186 183.4
[M+Na]+ 400.05380 192.1
[M-H]- 376.05730 190.2
[M+NH4]+ 395.09840 195.9
[M+K]+ 416.02774 185.9
[M+H-H2O]+ 360.06184 173.3
[M+HCOO]- 422.06278 199.6
[M+CH3COO]- 436.07843 219.9
[M+Na-2H]- 398.03925 180.3
[M]+ 377.06403 182.3
[M]- 377.06513 182.3
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.