CID 169502230

Precursor of cycloguanil

Structural Information

Molecular Formula

C₁₁H₂₀ClN₅

SMILES

CC(=NC(=NC(=NC1CCC(CC1)Cl)N)N)C

InChI

InChI=1S/C11H20ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h8-9H,3-6H2,1-2H3,(H4,13,14,16,17)

InChIKey

DQOAYLWQLCFPNQ-UHFFFAOYSA-N

Compound name

1-[amino-(propan-2-ylideneamino)methylidene]-2-(4-chlorocyclohexyl)guanidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 257.14072 Da
Monoisotopic Mass: 0.9
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]+	258.147996	164.8
[M+Na]+	280.129938	167.6
[M-H]-	256.133444	170.3
[M+NH4]+	275.174543	182.3
[M+K]+	296.103878	165.6
[M+H-H2O]+	240.137980	157.7
[M+HCOO]-	302.138921	185.7
[M+CH3COO]-	316.154571	211.6
[M+Na-2H]-	278.115386	164.5
[M]+	257.14017142	159.2
[M]-	257.14126858	159.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.