CID 96955

7182-99-2

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: 12
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]+	254.11756	158.8
[M+Na]+	276.09950	172.8
[M+NH4]+	271.14410	167.2
[M+K]+	292.07344	164.5
[M-H]-	252.10300	164.0
[M+Na-2H]-	274.08495	168.6
[M]+	253.10973	162.2
[M]-	253.11083	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe