CID 90337

Brn 1489441

Structural Information

Molecular Formula
C14H18NO3PS2
SMILES
CC(C)COP(=S)(C)SCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C14H18NO3PS2/c1-10(2)8-18-19(3,20)21-9-15-13(16)11-6-4-5-7-12(11)14(15)17/h4-7,10H,8-9H2,1-3H3
InChIKey
OGDPHEQKSQMITI-UHFFFAOYSA-N
Compound name
2-[[methyl(2-methylpropoxy)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

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.05385 175.0
[M+Na]+ 366.03579 183.5
[M+NH4]+ 361.08039 181.5
[M+K]+ 382.00973 176.8
[M-H]- 342.03929 174.3
[M+Na-2H]- 364.02124 175.8
[M]+ 343.04602 176.7
[M]- 343.04712 176.7
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