CID 3055046

Brn 2985236

Structural Information

Molecular Formula

C₁₈H₁₉NO₃

SMILES

CCCCOC1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H19NO3/c1-2-3-12-22-15-10-8-14(9-11-15)13-19-17-7-5-4-6-16(17)18(20)21/h4-11,13H,2-3,12H2,1H3,(H,20,21)

InChIKey

CCQBPBJBQAZGHW-UHFFFAOYSA-N

Compound name

2-[(4-butoxyphenyl)methylideneamino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 297.1365 Da
Monoisotopic Mass: 4.0
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]+	298.143776	169.8
[M+Na]+	320.125718	175.8
[M-H]-	296.129224	176.2
[M+NH4]+	315.170323	184.5
[M+K]+	336.099658	172.0
[M+H-H2O]+	280.133760	161.3
[M+HCOO]-	342.134701	193.9
[M+CH3COO]-	356.150351	205.9
[M+Na-2H]-	318.111166	173.5
[M]+	297.13595142	172.5
[M]-	297.13704858	172.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.