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 172.6
[M+Na]+ 366.03579 180.4
[M-H]- 342.03929 174.4
[M+NH4]+ 361.08039 189.2
[M+K]+ 382.00973 176.2
[M+H-H2O]+ 326.04383 164.7
[M+HCOO]- 388.04477 187.2
[M+CH3COO]- 402.06042 209.7
[M+Na-2H]- 364.02124 168.7
[M]+ 343.04602 179.1
[M]- 343.04712 179.1
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