CID 19608

Ethyl p-(p'-phenylbenzalamino)benzoate

Structural Information

Molecular Formula

C₂₂H₁₉NO₂

SMILES

CCOC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H19NO2/c1-2-25-22(24)20-12-14-21(15-13-20)23-16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-16H,2H2,1H3

InChIKey

XCBIEOXLPPQJNF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 329.14157 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]+	330.148846	179.8
[M+Na]+	352.130788	185.8
[M-H]-	328.134294	190.4
[M+NH4]+	347.175393	193.3
[M+K]+	368.104728	180.8
[M+H-H2O]+	312.138830	169.6
[M+HCOO]-	374.139771	204.9
[M+CH3COO]-	388.155421	213.6
[M+Na-2H]-	350.116236	184.0
[M]+	329.14102142	181.3
[M]-	329.14211858	181.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe