CID 99159

N-(2-benzothiazolyl)phthalimide

Structural Information

Molecular Formula
C15H8N2O2S
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C15H8N2O2S/c18-13-9-5-1-2-6-10(9)14(19)17(13)15-16-11-7-3-4-8-12(11)20-15/h1-8H
InChIKey
LSXOUPJSDGCGMO-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.03064 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.03792 161.4
[M+Na]+ 303.01986 175.2
[M-H]- 279.02336 169.6
[M+NH4]+ 298.06446 181.7
[M+K]+ 318.99380 169.7
[M+H-H2O]+ 263.02790 155.4
[M+HCOO]- 325.02884 180.3
[M+CH3COO]- 339.04449 175.4
[M+Na-2H]- 301.00531 163.5
[M]+ 280.03009 167.2
[M]- 280.03119 167.2
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.