CID 455105

Thiazoloisoindol-5-one deriv. 31

Structural Information

Molecular Formula
C16H13NO3S
SMILES
C1CS(=O)(=O)C2(N1C(=O)C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C16H13NO3S/c18-15-13-8-4-5-9-14(13)16(12-6-2-1-3-7-12)17(15)10-11-21(16,19)20/h1-9H,10-11H2
InChIKey
UGXLQTIMCJNFQS-UHFFFAOYSA-N
Compound name
1,1-dioxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

299.0616 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.06888 166.6
[M+Na]+ 322.05082 179.0
[M-H]- 298.05432 175.2
[M+NH4]+ 317.09542 190.9
[M+K]+ 338.02476 173.9
[M+H-H2O]+ 282.05886 161.3
[M+HCOO]- 344.05980 183.9
[M+CH3COO]- 358.07545 180.0
[M+Na-2H]- 320.03627 170.2
[M]+ 299.06105 170.6
[M]- 299.06215 170.6
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

No patent data available for this compound.