CID 5351154

Mitoguazone

Structural Information

Molecular Formula

C₅H₁₂N₈

SMILES

C/C(=N\N=C(N)N)/C=N/N=C(N)N

InChI

InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3+

InChIKey

MXWHMTNPTTVWDM-NXOFHUPFSA-N

Compound name

2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 700
References: 58230
Patents: 184.1185 Da
Monoisotopic Mass: -2.2
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]+	185.12578	137.6
[M+Na]+	207.10772	141.0
[M-H]-	183.11122	141.8
[M+NH4]+	202.15232	155.9
[M+K]+	223.08166	143.1
[M+H-H2O]+	167.11576	128.6
[M+HCOO]-	229.11670	170.4
[M+CH3COO]-	243.13235	209.5
[M+Na-2H]-	205.09317	141.1
[M]+	184.11795	130.6
[M]-	184.11905	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe