CID 90336

24017-17-2

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 172.9
[M+Na]+ 366.03579 181.2
[M-H]- 342.03929 174.7
[M+NH4]+ 361.08039 189.6
[M+K]+ 382.00973 176.4
[M+H-H2O]+ 326.04383 164.8
[M+HCOO]- 388.04477 188.6
[M+CH3COO]- 402.06042 209.0
[M+Na-2H]- 364.02124 169.8
[M]+ 343.04602 180.0
[M]- 343.04712 180.0
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