CID 298715

52925-58-3

Structural Information

Molecular Formula

C₁₉H₂₃NO

SMILES

CCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C

InChI

InChI=1S/C19H23NO/c1-3-4-5-14-21-19-12-8-17(9-13-19)15-20-18-10-6-16(2)7-11-18/h6-13,15H,3-5,14H2,1-2H3

InChIKey

CYBKDWOLADSLPR-UHFFFAOYSA-N

Compound name

N-(4-methylphenyl)-1-(4-pentoxyphenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 281.17798 Da
Monoisotopic Mass: 5.4
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]+	282.18526	168.6
[M+Na]+	304.16720	174.8
[M-H]-	280.17070	176.1
[M+NH4]+	299.21180	185.0
[M+K]+	320.14114	170.5
[M+H-H2O]+	264.17524	159.9
[M+HCOO]-	326.17618	194.2
[M+CH3COO]-	340.19183	207.3
[M+Na-2H]-	302.15265	173.3
[M]+	281.17743	172.0
[M]-	281.17853	172.0

Literature stripe

literature stripe

Patent stripe

patents stripe