CID 65130

Hexamidine

Structural Information

Molecular Formula

C₂₀H₂₆N₄O₂

SMILES

C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)

InChIKey

OQLKNTOKMBVBKV-UHFFFAOYSA-N

Compound name

4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 92
References: 11454
Patents: 354.20557 Da
Monoisotopic Mass: 2.9
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]+	355.212846	185.7
[M+Na]+	377.194788	187.7
[M-H]-	353.198294	190.4
[M+NH4]+	372.239393	196.1
[M+K]+	393.168728	183.3
[M+H-H2O]+	337.202830	175.8
[M+HCOO]-	399.203771	209.5
[M+CH3COO]-	413.219421	226.1
[M+Na-2H]-	375.180236	186.4
[M]+	354.20502142	182.9
[M]-	354.20611858	182.9

Literature stripe

literature stripe

Patent stripe

patents stripe