CID 455101

Thiazoloisoindol-5-one, indanyl deriv.

Structural Information

Molecular Formula
C18H16N2OS
SMILES
C1CNC2=CC=CC(=C21)C34C5=CC=CC=C5C(=O)N3CCS4
InChI
InChI=1S/C18H16N2OS/c21-17-13-4-1-2-5-15(13)18(20(17)10-11-22-18)14-6-3-7-16-12(14)8-9-19-16/h1-7,19H,8-11H2
InChIKey
SDFHOZLORGAEBL-UHFFFAOYSA-N
Compound name
9b-(2,3-dihydro-1H-indol-4-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.09833 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.10561 171.7
[M+Na]+ 331.08755 182.3
[M-H]- 307.09105 178.4
[M+NH4]+ 326.13215 194.5
[M+K]+ 347.06149 176.1
[M+H-H2O]+ 291.09559 166.4
[M+HCOO]- 353.09653 184.5
[M+CH3COO]- 367.11218 183.2
[M+Na-2H]- 329.07300 170.6
[M]+ 308.09778 172.0
[M]- 308.09888 172.0
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.