CID 123473

P-methylbenzylidene p-butylaniline

Structural Information

Molecular Formula

C₁₈H₂₁N

SMILES

CCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C

InChI

InChI=1S/C18H21N/c1-3-4-5-16-10-12-18(13-11-16)19-14-17-8-6-15(2)7-9-17/h6-14H,3-5H2,1-2H3

InChIKey

KCHFMTRVJWKQAC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 251.1674 Da
Monoisotopic Mass: 5.5
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]+	252.174676	160.3
[M+Na]+	274.156618	167.1
[M-H]-	250.160124	168.0
[M+NH4]+	269.201223	178.1
[M+K]+	290.130558	162.5
[M+H-H2O]+	234.164660	152.1
[M+HCOO]-	296.165601	186.1
[M+CH3COO]-	310.181251	202.3
[M+Na-2H]-	272.142066	165.6
[M]+	251.16685142	162.0
[M]-	251.16794858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe