CID 6543

Menazon

Structural Information

Molecular Formula

C₆H₁₂N₅O₂PS₂

SMILES

COP(=S)(OC)SCC1=NC(=NC(=N1)N)N

InChI

InChI=1S/C6H12N5O2PS2/c1-12-14(15,13-2)16-3-4-9-5(7)11-6(8)10-4/h3H2,1-2H3,(H4,7,8,9,10,11)

InChIKey

SUYHYHLFUHHVJQ-UHFFFAOYSA-N

Compound name

6-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 4
References: 4953
Patents: 281.017 Da
Monoisotopic Mass: 0.5
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]+	282.02428	155.3
[M+Na]+	304.00622	163.1
[M+NH4]+	299.05082	160.3
[M+K]+	319.98016	156.9
[M-H]-	280.00972	154.5
[M+Na-2H]-	301.99167	157.7
[M]+	281.01645	156.6
[M]-	281.01755	156.6

Literature stripe

literature stripe

Patent stripe

patents stripe