CID 85484

Casil

Structural Information

Molecular Formula
C15H20NO3PS2
SMILES
CCP(=S)(OCC(C)C)SCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C15H20NO3PS2/c1-4-20(21,19-9-11(2)3)22-10-16-14(17)12-7-5-6-8-13(12)15(16)18/h5-8,11H,4,9-10H2,1-3H3
InChIKey
CDSZITPHFYDYIK-UHFFFAOYSA-N
Compound name
2-[[ethyl(2-methylpropoxy)phosphinothioyl]sulfanylmethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
Patents

357.06223 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.06951 177.0
[M+Na]+ 380.05145 184.4
[M-H]- 356.05495 178.6
[M+NH4]+ 375.09605 193.0
[M+K]+ 396.02539 179.9
[M+H-H2O]+ 340.05949 168.9
[M+HCOO]- 402.06043 191.2
[M+CH3COO]- 416.07608 212.7
[M+Na-2H]- 378.03690 172.7
[M]+ 357.06168 183.8
[M]- 357.06278 183.8
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