CID 96955

Ethyl p-(n-benzylideneamino)benzoate

Structural Information

Molecular Formula

C₁₆H₁₅NO₂

SMILES

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

InChI

InChI=1S/C16H15NO2/c1-2-19-16(18)14-8-10-15(11-9-14)17-12-13-6-4-3-5-7-13/h3-12H,2H2,1H3

InChIKey

UEDPIABBBXACGR-UHFFFAOYSA-N

Compound name

ethyl 4-(benzylideneamino)benzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 13
Patents: 253.11028 Da
Monoisotopic Mass: 3.9
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]+	254.117556	157.7
[M+Na]+	276.099498	164.3
[M-H]-	252.103004	165.6
[M+NH4]+	271.144103	174.8
[M+K]+	292.073438	161.2
[M+H-H2O]+	236.107540	149.4
[M+HCOO]-	298.108481	183.8
[M+CH3COO]-	312.124131	198.5
[M+Na-2H]-	274.084946	163.6
[M]+	253.10973142	159.7
[M]-	253.11082858	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe