CID 255604

25959-50-6

Structural Information

Molecular Formula

C₁₇H₁₅NO₃

SMILES

COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C=CC(=O)O

InChI

InChI=1S/C17H15NO3/c1-21-16-9-4-14(5-10-16)12-18-15-7-2-13(3-8-15)6-11-17(19)20/h2-12H,1H3,(H,19,20)

InChIKey

UIELBEHBZKVMEI-UHFFFAOYSA-N

Compound name

3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 281.1052 Da
Monoisotopic Mass: 3.1
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]+	282.11248	165.7
[M+Na]+	304.09442	178.9
[M+NH4]+	299.13902	172.6
[M+K]+	320.06836	171.3
[M-H]-	280.09792	169.6
[M+Na-2H]-	302.07987	173.8
[M]+	281.10465	168.5
[M]-	281.10575	168.5

Literature stripe

literature stripe

Patent stripe

patents stripe