CID 135153

G25039

Structural Information

Molecular Formula
C10H17N2O3PS
SMILES
CC1=CC(=NC(=N1)C(C)C)OP(=S)(OC)OC
InChI
InChI=1S/C10H17N2O3PS/c1-7(2)10-11-8(3)6-9(12-10)15-16(17,13-4)14-5/h6-7H,1-5H3
InChIKey
BWLAZVMXYIXHCL-UHFFFAOYSA-N
Compound name
dimethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

276.06976 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07704 159.3
[M+Na]+ 299.05898 167.4
[M-H]- 275.06248 159.7
[M+NH4]+ 294.10358 174.3
[M+K]+ 315.03292 166.0
[M+H-H2O]+ 259.06702 149.7
[M+HCOO]- 321.06796 179.4
[M+CH3COO]- 335.08361 199.1
[M+Na-2H]- 297.04443 158.6
[M]+ 276.06921 166.8
[M]- 276.07031 166.8
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