CID 36105

Ethyl 4-(4-hydroxybenzylideneamino)benzoate

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

CCOC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)O

InChI

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

InChIKey

IGSNRCBZTGTHDY-UHFFFAOYSA-N

Compound name

ethyl 4-[(4-hydroxyphenyl)methylideneamino]benzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 269.1052 Da
Monoisotopic Mass: 3.8
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	160.9
[M+Na]+	292.094418	167.8
[M-H]-	268.097924	167.7
[M+NH4]+	287.139023	176.8
[M+K]+	308.068358	164.5
[M+H-H2O]+	252.102460	152.8
[M+HCOO]-	314.103401	185.7
[M+CH3COO]-	328.119051	199.3
[M+Na-2H]-	290.079866	165.6
[M]+	269.10465142	162.8
[M]-	269.10574858	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe