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 179.7
[M+Na]+ 388.04778 187.8
[M-H]- 364.05128 185.0
[M+NH4]+ 383.09238 193.0
[M+K]+ 404.02172 181.5
[M+H-H2O]+ 348.05582 174.3
[M+HCOO]- 410.05676 191.0
[M+CH3COO]- 424.07241 215.6
[M+Na-2H]- 386.03323 178.3
[M]+ 365.05801 184.2
[M]- 365.05911 184.2
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.