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]+ 318.089156 171.7
[M+Na]+ 340.071098 178.2
[M-H]- 316.074604 176.8
[M+NH4]+ 335.115703 185.7
[M+K]+ 356.045038 172.5
[M+H-H2O]+ 300.079140 164.7
[M+HCOO]- 362.080081 189.1
[M+CH3COO]- 376.095731 205.1
[M+Na-2H]- 338.056546 173.8
[M]+ 317.08133142 173.9
[M]- 317.08242858 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.