CID 90336

Brn 1489383

Structural Information

Molecular Formula
C14H18NO3PS2
SMILES
CCCOP(=S)(CC)SCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C14H18NO3PS2/c1-3-9-18-19(20,4-2)21-10-15-13(16)11-7-5-6-8-12(11)14(15)17/h5-8H,3-4,9-10H2,1-2H3
InChIKey
BUMOPTXDSVHHRB-UHFFFAOYSA-N
Compound name
2-[[ethyl(propoxy)phosphinothioyl]sulfanylmethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

343.04657 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.05385 175.5
[M+Na]+ 366.03579 184.3
[M+NH4]+ 361.08039 182.1
[M+K]+ 382.00973 176.7
[M-H]- 342.03929 175.0
[M+Na-2H]- 364.02124 176.5
[M]+ 343.04602 177.3
[M]- 343.04712 177.3
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