CID 203663

Brn 2852759

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

CCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H15NO3/c1-2-20-15-9-3-12(4-10-15)11-17-14-7-5-13(6-8-14)16(18)19/h3-11H,2H2,1H3,(H,18,19)

InChIKey

DRQCKLPNMDBVQL-UHFFFAOYSA-N

Compound name

4-[(4-ethoxyphenyl)methylideneamino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 269.1052 Da
Monoisotopic Mass: 3.7
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]+	270.112476	160.6
[M+Na]+	292.094418	167.5
[M-H]-	268.097924	167.4
[M+NH4]+	287.139023	176.4
[M+K]+	308.068358	164.1
[M+H-H2O]+	252.102460	152.5
[M+HCOO]-	314.103401	185.4
[M+CH3COO]-	328.119051	199.9
[M+Na-2H]-	290.079866	165.3
[M]+	269.10465142	162.6
[M]-	269.10574858	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe