CID 3046740

Sl 75,005

Structural Information

Molecular Formula
C17H16ClNO3
SMILES
C1=CC=C(C=C1)C(=NCCCC(=O)O)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C17H16ClNO3/c18-13-8-9-15(20)14(11-13)17(12-5-2-1-3-6-12)19-10-4-7-16(21)22/h1-3,5-6,8-9,11,20H,4,7,10H2,(H,21,22)
InChIKey
QRIMOGIAUWYQTE-UHFFFAOYSA-N
Compound name
4-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.08188 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.08916 171.7
[M+Na]+ 340.07110 178.2
[M-H]- 316.07460 176.8
[M+NH4]+ 335.11570 185.7
[M+K]+ 356.04504 172.5
[M+H-H2O]+ 300.07914 164.7
[M+HCOO]- 362.08008 189.1
[M+CH3COO]- 376.09573 205.1
[M+Na-2H]- 338.05655 173.8
[M]+ 317.08133 173.9
[M]- 317.08243 173.9
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.