CID 15956003

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

Structural Information

Molecular Formula
C19H15F2N3O3S
SMILES
C=CCN\1C(=O)CS/C1=N/NC(=O)C2=C(C=CC(=C2)C3=CC(=CC(=C3)F)F)O
InChI
InChI=1S/C19H15F2N3O3S/c1-2-5-24-17(26)10-28-19(24)23-22-18(27)15-8-11(3-4-16(15)25)12-6-13(20)9-14(21)7-12/h2-4,6-9,25H,1,5,10H2,(H,22,27)/b23-19+
InChIKey
KBLSYOZYUOGFOC-FCDQGJHFSA-N
Compound name
5-(3,5-difluorophenyl)-2-hydroxy-N-[(E)-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.08023 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.08751 191.4
[M+Na]+ 426.06945 199.4
[M-H]- 402.07295 197.8
[M+NH4]+ 421.11405 202.7
[M+K]+ 442.04339 192.3
[M+H-H2O]+ 386.07749 181.0
[M+HCOO]- 448.07843 207.1
[M+CH3COO]- 462.09408 225.1
[M+Na-2H]- 424.05490 187.4
[M]+ 403.07968 190.2
[M]- 403.08078 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.