CID 44115

Progabide

Structural Information

Molecular Formula
C17H16ClFN2O2
SMILES
C1=CC(=CC=C1C(=NCCCC(=O)N)C2=C(C=CC(=C2)F)O)Cl
InChI
InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)
InChIKey
IBALRBWGSVJPAP-UHFFFAOYSA-N
Compound name
4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]butanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

197
References

5504
Patents

334.08844 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09572 175.4
[M+Na]+ 357.07766 187.1
[M+NH4]+ 352.12226 181.7
[M+K]+ 373.05160 180.0
[M-H]- 333.08116 178.3
[M+Na-2H]- 355.06311 181.9
[M]+ 334.08789 177.9
[M]- 334.08899 177.9
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

patents stripe