CID 3046772

4-(((4-chlorophenyl)(2-hydroxy-4-methoxyphenyl)methylene)amino)butanoic acid sodium salt

Structural Information

Molecular Formula
C18H18ClNO4
SMILES
COC1=CC(=C(C=C1)C(=NCCCC(=O)O)C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C18H18ClNO4/c1-24-14-8-9-15(16(21)11-14)18(20-10-2-3-17(22)23)12-4-6-13(19)7-5-12/h4-9,11,21H,2-3,10H2,1H3,(H,22,23)
InChIKey
NZKONCLNGHKKCH-UHFFFAOYSA-N
Compound name
4-[[(4-chlorophenyl)-(2-hydroxy-4-methoxyphenyl)methylidene]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.09244 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.09972 179.5
[M+Na]+ 370.08166 192.2
[M+NH4]+ 365.12626 185.8
[M+K]+ 386.05560 185.5
[M-H]- 346.08516 182.5
[M+Na-2H]- 368.06711 185.9
[M]+ 347.09189 182.3
[M]- 347.09299 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.