CID 331956

Nsc327338

Structural Information

Molecular Formula
C16H10N2O4S2
SMILES
CS(=O)(=O)C1=NC2=C(S1)C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C16H10N2O4S2/c1-24(21,22)16-17-12-7-6-9(8-13(12)23-16)18-14(19)10-4-2-3-5-11(10)15(18)20/h2-8H,1H3
InChIKey
PHKPHJDDYJNLMO-UHFFFAOYSA-N
Compound name
2-(2-methylsulfonyl-1,3-benzothiazol-6-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.0082 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.01548 183.2
[M+Na]+ 380.99742 197.5
[M-H]- 357.00092 191.3
[M+NH4]+ 376.04202 200.6
[M+K]+ 396.97136 191.8
[M+H-H2O]+ 341.00546 179.0
[M+HCOO]- 403.00640 195.6
[M+CH3COO]- 417.02205 195.5
[M+Na-2H]- 378.98287 184.6
[M]+ 358.00765 191.8
[M]- 358.00875 191.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.