CID 16795276

893754-00-2

Structural Information

Molecular Formula

C₁₃H₂₁N₃

SMILES

CN1CCC(CC1)N(C)C2=CC=C(C=C2)N

InChI

InChI=1S/C13H21N3/c1-15-9-7-13(8-10-15)16(2)12-5-3-11(14)4-6-12/h3-6,13H,7-10,14H2,1-2H3

InChIKey

GHNDYFMUVKHEHF-UHFFFAOYSA-N

Compound name

4-N-methyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 219.17355 Da
Monoisotopic Mass: 2.0
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]+	220.180826	152.2
[M+Na]+	242.162768	156.5
[M-H]-	218.166274	157.7
[M+NH4]+	237.207373	168.9
[M+K]+	258.136708	154.2
[M+H-H2O]+	202.170810	143.6
[M+HCOO]-	264.171751	173.2
[M+CH3COO]-	278.187401	197.5
[M+Na-2H]-	240.148216	155.4
[M]+	219.17300142	146.8
[M]-	219.17409858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe