CID 48856

N-(2-dimethylaminoethyl)-4-propoxybenzamidine dihydrochloride

Structural Information

Molecular Formula

C₁₄H₂₃N₃O

SMILES

CCCOC1=CC=C(C=C1)C(=NCCN(C)C)N

InChI

InChI=1S/C14H23N3O/c1-4-11-18-13-7-5-12(6-8-13)14(15)16-9-10-17(2)3/h5-8H,4,9-11H2,1-3H3,(H2,15,16)

InChIKey

SRKONJGNDHBJJM-UHFFFAOYSA-N

Compound name

N'-[2-(dimethylamino)ethyl]-4-propoxybenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 249.18411 Da
Monoisotopic Mass: 1.8
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]+	250.191386	161.8
[M+Na]+	272.173328	166.0
[M-H]-	248.176834	167.0
[M+NH4]+	267.217933	179.2
[M+K]+	288.147268	165.2
[M+H-H2O]+	232.181370	153.6
[M+HCOO]-	294.182311	188.5
[M+CH3COO]-	308.197961	209.1
[M+Na-2H]-	270.158776	164.8
[M]+	249.18356142	163.7
[M]-	249.18465858	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe