CID 455109

Thiazoloisoindol-5-one deriv. 35

Structural Information

Molecular Formula
C17H15NOS
SMILES
C1CN2C(=O)C3=CC=CC=C3C2(SC1)C4=CC=CC=C4
InChI
InChI=1S/C17H15NOS/c19-16-14-9-4-5-10-15(14)17(13-7-2-1-3-8-13)18(16)11-6-12-20-17/h1-5,7-10H,6,11-12H2
InChIKey
AMOCSKAPIOCNAB-UHFFFAOYSA-N
Compound name
10b-phenyl-3,4-dihydro-2H-[1,3]thiazino[2,3-a]isoindol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

281.08743 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.09471 163.2
[M+Na]+ 304.07665 172.1
[M-H]- 280.08015 170.1
[M+NH4]+ 299.12125 184.0
[M+K]+ 320.05059 166.4
[M+H-H2O]+ 264.08469 155.9
[M+HCOO]- 326.08563 177.2
[M+CH3COO]- 340.10128 174.9
[M+Na-2H]- 302.06210 167.0
[M]+ 281.08688 162.5
[M]- 281.08798 162.5
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.