CID 65152

5218-08-6

Structural Information

Molecular Formula
C16H13NOS
SMILES
C1CSC2(N1C(=O)C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C16H13NOS/c18-15-13-8-4-5-9-14(13)16(17(15)10-11-19-16)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey
CTGFADZNCCTVMP-UHFFFAOYSA-N
Compound name
9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

11
Patents

267.07178 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.07906 160.7
[M+Na]+ 290.06100 171.3
[M-H]- 266.06450 168.8
[M+NH4]+ 285.10560 184.3
[M+K]+ 306.03494 166.1
[M+H-H2O]+ 250.06904 154.9
[M+HCOO]- 312.06998 177.5
[M+CH3COO]- 326.08563 173.8
[M+Na-2H]- 288.04645 163.0
[M]+ 267.07123 162.3
[M]- 267.07233 162.3
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.