CID 3424439

41882-49-9

Structural Information

Molecular Formula

C₁₆H₁₇NO

SMILES

CC1=CC=C(C=C1)C=NCC2=CC=C(C=C2)OC

InChI

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

InChIKey

ILKBSWJGMDHDAZ-UHFFFAOYSA-N

Compound name

N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.13101 Da
Monoisotopic Mass: 3.5
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]+	240.138286	154.6
[M+Na]+	262.120228	162.2
[M-H]-	238.123734	162.8
[M+NH4]+	257.164833	172.8
[M+K]+	278.094168	158.7
[M+H-H2O]+	222.128270	146.6
[M+HCOO]-	284.129211	181.4
[M+CH3COO]-	298.144861	198.3
[M+Na-2H]-	260.105676	161.0
[M]+	239.13046142	157.0
[M]-	239.13155858	157.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.