CID 93516

Tebupirimfos

Structural Information

Molecular Formula
C13H23N2O3PS
SMILES
CCOP(=S)(OC1=CN=C(N=C1)C(C)(C)C)OC(C)C
InChI
InChI=1S/C13H23N2O3PS/c1-7-16-19(20,17-10(2)3)18-11-8-14-12(15-9-11)13(4,5)6/h8-10H,7H2,1-6H3
InChIKey
AWYOMXWDGWUJHS-UHFFFAOYSA-N
Compound name
(2-tert-butylpyrimidin-5-yl)oxy-ethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

10
References

17370
Patents

318.1167 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12398 174.9
[M+Na]+ 341.10592 181.3
[M-H]- 317.10942 174.7
[M+NH4]+ 336.15052 188.1
[M+K]+ 357.07986 179.6
[M+H-H2O]+ 301.11396 165.1
[M+HCOO]- 363.11490 192.6
[M+CH3COO]- 377.13055 206.7
[M+Na-2H]- 339.09137 174.6
[M]+ 318.11615 182.5
[M]- 318.11725 182.5
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