CID 3025647

4-(((4-chlorophenyl)(5-fluoro-2-hydroxyphenyl)methylene)amino)pentanoic acid

Structural Information

Molecular Formula
C18H17ClFNO3
SMILES
CC(CCC(=O)O)N=C(C1=CC=C(C=C1)Cl)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C18H17ClFNO3/c1-11(2-9-17(23)24)21-18(12-3-5-13(19)6-4-12)15-10-14(20)7-8-16(15)22/h3-8,10-11,22H,2,9H2,1H3,(H,23,24)
InChIKey
YYLYMTSWIFAIQN-UHFFFAOYSA-N
Compound name
4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0881 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09538 178.1
[M+Na]+ 372.07732 184.8
[M-H]- 348.08082 182.1
[M+NH4]+ 367.12192 191.0
[M+K]+ 388.05126 179.2
[M+H-H2O]+ 332.08536 170.3
[M+HCOO]- 394.08630 193.2
[M+CH3COO]- 408.10195 212.8
[M+Na-2H]- 370.06277 177.3
[M]+ 349.08755 179.5
[M]- 349.08865 179.5
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.