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-methoxy-2-pyridinyl)-N-methylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

27032
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 179.0
[M+Na]+ 353.12942 185.6
[M-H]- 329.13292 185.9
[M+NH4]+ 348.17402 192.7
[M+K]+ 369.10336 182.5
[M+H-H2O]+ 313.13746 170.4
[M+HCOO]- 375.13840 195.2
[M+CH3COO]- 389.15405 213.2
[M+Na-2H]- 351.11487 180.5
[M]+ 330.13965 184.3
[M]- 330.14075 184.3
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.