CID 14623

1-beta-naphthylbiguanide hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₃N₅

SMILES

C1=CC=C2C=C(C=CC2=C1)N=C(N)N=C(N)N

InChI

InChI=1S/C12H13N5/c13-11(14)17-12(15)16-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H6,13,14,15,16,17)

InChIKey

RDLIBCPWPNCFBW-UHFFFAOYSA-N

Compound name

1-(diaminomethylidene)-2-naphthalen-2-ylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 5
Patents: 227.1171 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]+	228.12438	150.7
[M+Na]+	250.10632	159.5
[M+NH4]+	245.15092	158.5
[M+K]+	266.08026	153.9
[M-H]-	226.10982	155.9
[M+Na-2H]-	248.09177	157.1
[M]+	227.11655	152.9
[M]-	227.11765	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe