CID 282269

67676-47-5

Structural Information

Molecular Formula

C₁₆H₁₇NO

SMILES

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C=O

InChI

InChI=1S/C16H17NO/c1-2-17(12-14-6-4-3-5-7-14)16-10-8-15(13-18)9-11-16/h3-11,13H,2,12H2,1H3

InChIKey

YVBIDCBDRUUGEA-UHFFFAOYSA-N

Compound name

4-[benzyl(ethyl)amino]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 239.13101 Da
Monoisotopic Mass: 3.4
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]+	240.13829	155.1
[M+Na]+	262.12023	161.3
[M-H]-	238.12373	162.8
[M+NH4]+	257.16483	172.8
[M+K]+	278.09417	158.2
[M+H-H2O]+	222.12827	146.9
[M+HCOO]-	284.12921	180.8
[M+CH3COO]-	298.14486	198.7
[M+Na-2H]-	260.10568	161.0
[M]+	239.13046	156.5
[M]-	239.13156	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe