CID 89714

Quinothion

Structural Information

Molecular Formula
C14H18NO3PS
SMILES
CCOP(=S)(OCC)OC1=CC(=NC2=CC=CC=C21)C
InChI
InChI=1S/C14H18NO3PS/c1-4-16-19(20,17-5-2)18-14-10-11(3)15-13-9-7-6-8-12(13)14/h6-10H,4-5H2,1-3H3
InChIKey
RVQMZGWUSHPUCC-UHFFFAOYSA-N
Compound name
diethoxy-(2-methylquinolin-4-yl)oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4542
Patents

311.0745 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08178 168.8
[M+Na]+ 334.06372 181.1
[M+NH4]+ 329.10832 176.2
[M+K]+ 350.03766 172.7
[M-H]- 310.06722 169.9
[M+Na-2H]- 332.04917 173.9
[M]+ 311.07395 171.3
[M]- 311.07505 171.3
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

patents stripe