CID 114255

Bayer 45522

Structural Information

Molecular Formula
C9H15N2O2PS2
SMILES
CCSC1=NC(=CC(=N1)OP(=S)(C)OC)C
InChI
InChI=1S/C9H15N2O2PS2/c1-5-16-9-10-7(2)6-8(11-9)13-14(4,15)12-3/h6H,5H2,1-4H3
InChIKey
HDYKJFNCNQBNTR-UHFFFAOYSA-N
Compound name
(2-ethylsulfanyl-6-methylpyrimidin-4-yl)oxy-methoxy-methyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.03125 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.03853 154.1
[M+Na]+ 301.02047 162.9
[M-H]- 277.02397 154.2
[M+NH4]+ 296.06507 169.3
[M+K]+ 316.99441 159.0
[M+H-H2O]+ 261.02851 144.7
[M+HCOO]- 323.02945 170.1
[M+CH3COO]- 337.04510 197.8
[M+Na-2H]- 299.00592 152.8
[M]+ 278.03070 160.6
[M]- 278.03180 160.6
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

No patent data available for this compound.