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
7
Annotation Hits

4
References

5404
Patents

281.017 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.02428 152.0
[M+Na]+ 304.00622 160.0
[M-H]- 280.00972 149.7
[M+NH4]+ 299.05082 164.2
[M+K]+ 319.98016 155.3
[M+H-H2O]+ 264.01426 141.8
[M+HCOO]- 326.01520 168.0
[M+CH3COO]- 340.03085 200.4
[M+Na-2H]- 301.99167 151.6
[M]+ 281.01645 153.9
[M]- 281.01755 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe