CID 6436919

2863-94-7

Structural Information

Molecular Formula

C₂₀H₂₁NO₃

SMILES

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

InChI

InChI=1S/C20H21NO3/c1-3-23-19-12-7-17(8-13-19)15-21-18-10-5-16(6-11-18)9-14-20(22)24-4-2/h5-15H,3-4H2,1-2H3/b14-9+,21-15?

InChIKey

CVVDLYBLLWQIDB-BAAZBEGMSA-N

Compound name

ethyl (E)-3-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 323.15213 Da
Monoisotopic Mass: 4.2
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]+	324.159406	178.1
[M+Na]+	346.141348	184.0
[M-H]-	322.144854	185.6
[M+NH4]+	341.185953	192.5
[M+K]+	362.115288	180.1
[M+H-H2O]+	306.149390	168.9
[M+HCOO]-	368.150331	203.2
[M+CH3COO]-	382.165981	212.3
[M+Na-2H]-	344.126796	181.1
[M]+	323.15158142	182.4
[M]-	323.15267858	182.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe