CID 4583663

N-benzylidene-2,5-xylidine

Structural Information

Molecular Formula

C₁₅H₁₅N

SMILES

CC1=CC(=C(C=C1)C)N=CC2=CC=CC=C2

InChI

InChI=1S/C15H15N/c1-12-8-9-13(2)15(10-12)16-11-14-6-4-3-5-7-14/h3-11H,1-2H3

InChIKey

OYAVACNRKWWWOQ-UHFFFAOYSA-N

Compound name

N-(2,5-dimethylphenyl)-1-phenylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 209.12045 Da
Monoisotopic Mass: 4.0
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]+	210.12773	146.3
[M+Na]+	232.10967	154.4
[M-H]-	208.11317	154.6
[M+NH4]+	227.15427	165.8
[M+K]+	248.08361	150.5
[M+H-H2O]+	192.11771	138.8
[M+HCOO]-	254.11865	173.2
[M+CH3COO]-	268.13430	193.3
[M+Na-2H]-	230.09512	153.3
[M]+	209.11990	146.9
[M]-	209.12100	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe