CID 3023551

94108-09-5

Structural Information

Molecular Formula

C₂₀H₂₃NO₂

SMILES

CCOC(=O)C1=CC=CC=C1N=CC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H23NO2/c1-5-23-19(22)17-8-6-7-9-18(17)21-14-15-10-12-16(13-11-15)20(2,3)4/h6-14H,5H2,1-4H3

InChIKey

CKBPPQQVZFDIKN-UHFFFAOYSA-N

Compound name

ethyl 2-[(4-tert-butylphenyl)methylideneamino]benzoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 12
Patents: 309.17288 Da
Monoisotopic Mass: 5.1
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]+	310.180156	175.7
[M+Na]+	332.162098	182.0
[M-H]-	308.165604	183.6
[M+NH4]+	327.206703	191.0
[M+K]+	348.136038	178.5
[M+H-H2O]+	292.170140	167.4
[M+HCOO]-	354.171081	198.8
[M+CH3COO]-	368.186731	211.4
[M+Na-2H]-	330.147546	179.5
[M]+	309.17233142	178.9
[M]-	309.17342858	178.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe