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

literature stripe

Patent stripe

patents stripe