CID 455104

Thiazoloisoindol-5-one deriv. 30

Structural Information

Molecular Formula
C16H13NO2S
SMILES
C1CS(=O)C2(N1C(=O)C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C16H13NO2S/c18-15-13-8-4-5-9-14(13)16(12-6-2-1-3-7-12)17(15)10-11-20(16)19/h1-9H,10-11H2
InChIKey
SUSRXUJHVADUOT-UHFFFAOYSA-N
Compound name
1-oxo-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

283.0667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.07398 163.9
[M+Na]+ 306.05592 175.3
[M-H]- 282.05942 172.2
[M+NH4]+ 301.10052 187.0
[M+K]+ 322.02986 170.1
[M+H-H2O]+ 266.06396 158.3
[M+HCOO]- 328.06490 180.9
[M+CH3COO]- 342.08055 177.1
[M+Na-2H]- 304.04137 165.8
[M]+ 283.06615 166.6
[M]- 283.06725 166.6
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.