CID 44114

Progabide acid

Structural Information

Molecular Formula
C17H15ClFNO3
SMILES
C1=CC(=CC=C1C(=NCCCC(=O)O)C2=C(C=CC(=C2)F)O)Cl
InChI
InChI=1S/C17H15ClFNO3/c18-12-5-3-11(4-6-12)17(20-9-1-2-16(22)23)14-10-13(19)7-8-15(14)21/h3-8,10,21H,1-2,9H2,(H,22,23)
InChIKey
RRAXPPHKWFOGGL-UHFFFAOYSA-N
Compound name
4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

37
Patents

335.07245 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.07973 173.9
[M+Na]+ 358.06167 181.4
[M-H]- 334.06517 178.0
[M+NH4]+ 353.10627 187.4
[M+K]+ 374.03561 175.3
[M+H-H2O]+ 318.06971 166.1
[M+HCOO]- 380.07065 190.3
[M+CH3COO]- 394.08630 209.0
[M+Na-2H]- 356.04712 174.7
[M]+ 335.07190 175.5
[M]- 335.07300 175.5
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

patents stripe