CID 93486

Pyributicarb

Structural Information

Molecular Formula
C18H22N2O2S
SMILES
CC(C)(C)C1=CC(=CC=C1)OC(=S)N(C)C2=NC(=CC=C2)OC
InChI
InChI=1S/C18H22N2O2S/c1-18(2,3)13-8-6-9-14(12-13)22-17(23)20(4)15-10-7-11-16(19-15)21-5/h6-12H,1-5H3
InChIKey
VTRWMTJQBQJKQH-UHFFFAOYSA-N
Compound name
O-(3-tert-butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

23240
Patents

330.1402 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14748 178.9
[M+Na]+ 353.12942 191.3
[M+NH4]+ 348.17402 186.4
[M+K]+ 369.10336 183.2
[M-H]- 329.13292 182.8
[M+Na-2H]- 351.11487 186.7
[M]+ 330.13965 182.4
[M]- 330.14075 182.4
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