CID 29671

Biguanide, 1-(p-ethoxyphenyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₅N₅O

SMILES

CCOC1=CC=C(C=C1)N=C(N)N=C(N)N

InChI

InChI=1S/C10H15N5O/c1-2-16-8-5-3-7(4-6-8)14-10(13)15-9(11)12/h3-6H,2H2,1H3,(H6,11,12,13,14,15)

InChIKey

CHEQLSSMGDBGBI-UHFFFAOYSA-N

Compound name

1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 15
Patents: 221.12766 Da
Monoisotopic Mass: 0.2
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]+	222.13494	151.0
[M+Na]+	244.11688	157.7
[M+NH4]+	239.16148	157.1
[M+K]+	260.09082	153.6
[M-H]-	220.12038	154.5
[M+Na-2H]-	242.10233	155.7
[M]+	221.12711	152.2
[M]-	221.12821	152.2

Literature stripe

literature stripe

Patent stripe

patents stripe