CID 10306

Methaphenilene

Structural Information

Molecular Formula

C₁₅H₂₀N₂S

SMILES

CN(C)CCN(CC1=CC=CS1)C2=CC=CC=C2

InChI

InChI=1S/C15H20N2S/c1-16(2)10-11-17(13-15-9-6-12-18-15)14-7-4-3-5-8-14/h3-9,12H,10-11,13H2,1-2H3

InChIKey

LDYJXVUOVPVZKA-UHFFFAOYSA-N

Compound name

N,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 219
Patents: 260.1347 Da
Monoisotopic Mass: 3.3
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]+	261.14198	161.1
[M+Na]+	283.12392	172.0
[M+NH4]+	278.16852	171.0
[M+K]+	299.09786	164.1
[M-H]-	259.12742	167.5
[M+Na-2H]-	281.10937	169.8
[M]+	260.13415	164.9
[M]-	260.13525	164.9

Literature stripe

literature stripe

Patent stripe

patents stripe