CID 252056

16060-68-7

Structural Information

Molecular Formula
C15H8N2O2S
SMILES
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C4=NC=CS4
InChI
InChI=1S/C15H8N2O2S/c18-13-10-5-1-3-9-4-2-6-11(12(9)10)14(19)17(13)15-16-7-8-20-15/h1-8H
InChIKey
XEDNDDVVAADJJG-UHFFFAOYSA-N
Compound name
2-(1,3-thiazol-2-yl)benzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

280.03064 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.03792 160.2
[M+Na]+ 303.01986 172.7
[M-H]- 279.02336 166.8
[M+NH4]+ 298.06446 178.6
[M+K]+ 318.99380 166.9
[M+H-H2O]+ 263.02790 152.9
[M+HCOO]- 325.02884 176.7
[M+CH3COO]- 339.04449 173.2
[M+Na-2H]- 301.00531 164.9
[M]+ 280.03009 165.2
[M]- 280.03119 165.2
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

patents stripe