CID 3040227

Izotiopestox

Structural Information

Molecular Formula
C8H24N4O2P2S
SMILES
CN(C)P(=O)(N(C)C)OP(=S)(N(C)C)N(C)C
InChI
InChI=1S/C8H24N4O2P2S/c1-9(2)15(13,10(3)4)14-16(17,11(5)6)12(7)8/h1-8H3
InChIKey
VJIXUFMOMBSUSC-UHFFFAOYSA-N
Compound name
N-[bis(dimethylamino)phosphinothioyloxy-(dimethylamino)phosphoryl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.10953 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11681 165.3
[M+Na]+ 325.09875 168.5
[M-H]- 301.10225 168.7
[M+NH4]+ 320.14335 183.1
[M+K]+ 341.07269 172.4
[M+H-H2O]+ 285.10679 153.2
[M+HCOO]- 347.10773 197.1
[M+CH3COO]- 361.12338 227.2
[M+Na-2H]- 323.08420 163.7
[M]+ 302.10898 173.9
[M]- 302.11008 173.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe