CID 3025645

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

Structural Information

Molecular Formula
C19H19Cl2NO3
SMILES
CC1=CC(=CC(=C1O)C(=NC(C)CCC(=O)O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C19H19Cl2NO3/c1-11-9-15(21)10-16(19(11)25)18(13-4-6-14(20)7-5-13)22-12(2)3-8-17(23)24/h4-7,9-10,12,25H,3,8H2,1-2H3,(H,23,24)
InChIKey
IIPKHMOXAHCBDJ-UHFFFAOYSA-N
Compound name
4-[[(5-chloro-2-hydroxy-3-methylphenyl)-(4-chlorophenyl)methylidene]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.0742 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.08148 184.3
[M+Na]+ 402.06342 192.0
[M-H]- 378.06692 189.4
[M+NH4]+ 397.10802 197.0
[M+K]+ 418.03736 185.4
[M+H-H2O]+ 362.07146 178.6
[M+HCOO]- 424.07240 195.3
[M+CH3COO]- 438.08805 218.5
[M+Na-2H]- 400.04887 182.4
[M]+ 379.07365 189.1
[M]- 379.07475 189.1
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.