CID 6455414

67018-59-1

Structural Information

Molecular Formula
C9H16N3O3PS
SMILES
CCNC1=NC(=CC(=N1)OP(=S)(OC)OC)C
InChI
InChI=1S/C9H16N3O3PS/c1-5-10-9-11-7(2)6-8(12-9)15-16(17,13-3)14-4/h6H,5H2,1-4H3,(H,10,11,12)
InChIKey
FMJYNECHJIZSCE-UHFFFAOYSA-N
Compound name
4-dimethoxyphosphinothioyloxy-N-ethyl-6-methylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

277.065 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07228 159.1
[M+Na]+ 300.05422 166.9
[M-H]- 276.05772 159.3
[M+NH4]+ 295.09882 173.6
[M+K]+ 316.02816 164.9
[M+H-H2O]+ 260.06226 149.0
[M+HCOO]- 322.06320 181.4
[M+CH3COO]- 336.07885 200.3
[M+Na-2H]- 298.03967 160.4
[M]+ 277.06445 165.8
[M]- 277.06555 165.8
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