CID 3025655

3-(((5-chloro-2-hydroxy-3-methylphenyl)(4-chlorophenyl)methylene)amino)butanoic acid

Structural Information

Molecular Formula
C18H17Cl2NO3
SMILES
CC1=CC(=CC(=C1O)C(=NC(C)CC(=O)O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C18H17Cl2NO3/c1-10-7-14(20)9-15(18(10)24)17(21-11(2)8-16(22)23)12-3-5-13(19)6-4-12/h3-7,9,11,24H,8H2,1-2H3,(H,22,23)
InChIKey
JVFTXSZVKBNFLC-UHFFFAOYSA-N
Compound name
3-[[(5-chloro-2-hydroxy-3-methylphenyl)-(4-chlorophenyl)methylidene]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.05856 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.06584 182.2
[M+Na]+ 388.04778 195.9
[M+NH4]+ 383.09238 189.0
[M+K]+ 404.02172 188.9
[M-H]- 364.05128 185.3
[M+Na-2H]- 386.03323 188.3
[M]+ 365.05801 185.5
[M]- 365.05911 185.5
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.