CID 455087

Thiazoloisoindol-5-one deriv. 11

Structural Information

Molecular Formula
C17H15NO2S
SMILES
COC1=CC=C(C=C1)C23C4=CC=CC=C4C(=O)N2CCS3
InChI
InChI=1S/C17H15NO2S/c1-20-13-8-6-12(7-9-13)17-15-5-3-2-4-14(15)16(19)18(17)10-11-21-17/h2-9H,10-11H2,1H3
InChIKey
MBUIDNOXCGEZDL-UHFFFAOYSA-N
Compound name
9b-(4-methoxyphenyl)-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

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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.