CID 8249

Phenformin

Structural Information

Molecular Formula

C₁₀H₁₅N₅

SMILES

C1=CC=C(C=C1)CCN=C(N)N=C(N)N

InChI

InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)

InChIKey

ICFJFFQQTFMIBG-UHFFFAOYSA-N

Compound name

1-(diaminomethylidene)-2-(2-phenylethyl)guanidine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1714
References: 26197
Patents: 205.13275 Da
Monoisotopic Mass: -0.8
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]+	206.14003	148.0
[M+Na]+	228.12197	154.8
[M+NH4]+	223.16657	154.7
[M+K]+	244.09591	150.0
[M-H]-	204.12547	151.9
[M+Na-2H]-	226.10742	153.4
[M]+	205.13220	149.4
[M]-	205.13330	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe