CID 3025656

4-(((5-chloro-2-hydroxyphenyl)(2-chlorophenyl)methylene)amino)pentanamide

Structural Information

Molecular Formula

C₁₈H₁₈Cl₂N₂O₂

SMILES

CC(CCC(=O)N)N=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C18H18Cl2N2O2/c1-11(6-9-17(21)24)22-18(13-4-2-3-5-15(13)20)14-10-12(19)7-8-16(14)23/h2-5,7-8,10-11,23H,6,9H2,1H3,(H2,21,24)

InChIKey

UNOFVUASZGYCBU-UHFFFAOYSA-N

Compound name

4-[[(5-chloro-2-hydroxyphenyl)-(2-chlorophenyl)methylidene]amino]pentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 364.07452 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	365.081796	183.8
[M+Na]+	387.063738	190.7
[M-H]-	363.067244	189.3
[M+NH4]+	382.108343	196.9
[M+K]+	403.037678	184.1
[M+H-H2O]+	347.071780	177.6
[M+HCOO]-	409.072721	196.7
[M+CH3COO]-	423.088371	219.1
[M+Na-2H]-	385.049186	182.6
[M]+	364.07397142	186.6
[M]-	364.07506858	186.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.