CID 455090

Thiazoloisoindol-5-one deriv. 15

Structural Information

Molecular Formula
C18H17NOS
SMILES
CCC1=CC(=CC=C1)C23C4=CC=CC=C4C(=O)N2CCS3
InChI
InChI=1S/C18H17NOS/c1-2-13-6-5-7-14(12-13)18-16-9-4-3-8-15(16)17(20)19(18)10-11-21-18/h3-9,12H,2,10-11H2,1H3
InChIKey
XVOXGXATBNYXMQ-UHFFFAOYSA-N
Compound name
9b-(3-ethylphenyl)-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

295.1031 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11038 169.4
[M+Na]+ 318.09232 179.9
[M-H]- 294.09582 177.4
[M+NH4]+ 313.13692 192.1
[M+K]+ 334.06626 174.2
[M+H-H2O]+ 278.10036 163.4
[M+HCOO]- 340.10130 185.4
[M+CH3COO]- 354.11695 181.9
[M+Na-2H]- 316.07777 170.1
[M]+ 295.10255 172.0
[M]- 295.10365 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.