CID 455130

Thiazoloisoindol-5-one deriv. 58

Structural Information

Molecular Formula
C16H12ClNOS
SMILES
C1CSC2(N1C(=O)C3=C2C(=CC=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C16H12ClNOS/c17-13-8-4-7-12-14(13)16(11-5-2-1-3-6-11)18(15(12)19)9-10-20-16/h1-8H,9-10H2
InChIKey
ZPMAZLRUKJKZGZ-UHFFFAOYSA-N
Compound name
9-chloro-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

0
Patents

301.0328 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.04008 168.9
[M+Na]+ 324.02202 181.0
[M-H]- 300.02552 177.1
[M+NH4]+ 319.06662 192.2
[M+K]+ 339.99596 174.3
[M+H-H2O]+ 284.03006 163.7
[M+HCOO]- 346.03100 181.0
[M+CH3COO]- 360.04665 181.8
[M+Na-2H]- 322.00747 170.0
[M]+ 301.03225 172.9
[M]- 301.03335 172.9
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.