CID 17579

Naphthaloximidodiethyl thiophosphate

Structural Information

Molecular Formula
C16H16NO5PS
SMILES
CCOP(=S)(OCC)ON1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O
InChI
InChI=1S/C16H16NO5PS/c1-3-20-23(24,21-4-2)22-17-15(18)12-9-5-7-11-8-6-10-13(14(11)12)16(17)19/h5-10H,3-4H2,1-2H3
InChIKey
OQMPNMGXNJHPJP-UHFFFAOYSA-N
Compound name
2-diethoxyphosphinothioyloxybenzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

365.04868 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.05596 179.2
[M+Na]+ 388.03790 186.9
[M-H]- 364.04140 181.0
[M+NH4]+ 383.08250 193.6
[M+K]+ 404.01184 183.9
[M+H-H2O]+ 348.04594 169.3
[M+HCOO]- 410.04688 197.0
[M+CH3COO]- 424.06253 215.7
[M+Na-2H]- 386.02335 181.5
[M]+ 365.04813 187.6
[M]- 365.04923 187.6
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