CID 455126

Thiazoloisoindol-5-one deriv. 54

Structural Information

Molecular Formula
C17H15NO2S
SMILES
COC1=CC2=C(C=C1)C(=O)N3C2(SCC3)C4=CC=CC=C4
InChI
InChI=1S/C17H15NO2S/c1-20-13-7-8-14-15(11-13)17(12-5-3-2-4-6-12)18(16(14)19)9-10-21-17/h2-8,11H,9-10H2,1H3
InChIKey
INLLGWCIYZJZPW-UHFFFAOYSA-N
Compound name
8-methoxy-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

297.08234 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08962 168.3
[M+Na]+ 320.07156 179.0
[M-H]- 296.07506 176.4
[M+NH4]+ 315.11616 190.8
[M+K]+ 336.04550 174.1
[M+H-H2O]+ 280.07960 162.5
[M+HCOO]- 342.08054 184.8
[M+CH3COO]- 356.09619 181.0
[M+Na-2H]- 318.05701 169.8
[M]+ 297.08179 172.0
[M]- 297.08289 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

patents stripe