CID 163280

N-benzylxylidene hydrochloride

Structural Information

Molecular Formula

C₁₅H₁₇N

SMILES

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

InChI

InChI=1S/C15H17N/c1-12-7-6-10-15(13(12)2)16-11-14-8-4-3-5-9-14/h3-10,16H,11H2,1-2H3

InChIKey

ZZLZZLXNQDYECV-UHFFFAOYSA-N

Compound name

N-benzyl-2,3-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 211.1361 Da
Monoisotopic Mass: 4.1
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]+	212.14338	147.7
[M+Na]+	234.12532	155.0
[M-H]-	210.12882	154.6
[M+NH4]+	229.16992	166.4
[M+K]+	250.09926	150.8
[M+H-H2O]+	194.13336	140.4
[M+HCOO]-	256.13430	172.8
[M+CH3COO]-	270.14995	192.2
[M+Na-2H]-	232.11077	154.3
[M]+	211.13555	147.2
[M]-	211.13665	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe