CID 636391

Olanexidine

Structural Information

Molecular Formula

C₁₇H₂₇Cl₂N₅

SMILES

CCCCCCCCN=C(N)NC(=NCC1=CC(=C(C=C1)Cl)Cl)N

InChI

InChI=1S/C17H27Cl2N5/c1-2-3-4-5-6-7-10-22-16(20)24-17(21)23-12-13-8-9-14(18)15(19)11-13/h8-9,11H,2-7,10,12H2,1H3,(H5,20,21,22,23,24)

InChIKey

ZZQMUJGZCZTLQD-UHFFFAOYSA-N

Compound name

1-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-2-octylguanidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 17
References: 343
Patents: 371.16434 Da
Monoisotopic Mass: 4.7
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]+	372.17162	191.8
[M+Na]+	394.15356	199.7
[M+NH4]+	389.19816	197.9
[M+K]+	410.12750	191.7
[M-H]-	370.15706	195.5
[M+Na-2H]-	392.13901	195.4
[M]+	371.16379	194.0
[M]-	371.16489	194.0

Literature stripe

literature stripe

Patent stripe

patents stripe