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

4704
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 169.2
[M+Na]+ 334.06372 177.2
[M-H]- 310.06722 171.3
[M+NH4]+ 329.10832 185.0
[M+K]+ 350.03766 174.1
[M+H-H2O]+ 294.07176 159.5
[M+HCOO]- 356.07270 190.2
[M+CH3COO]- 370.08835 205.0
[M+Na-2H]- 332.04917 170.9
[M]+ 311.07395 177.0
[M]- 311.07505 177.0
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