CID 455078

9b-phenyl-2,3-dihydrothiazolo[2,3-a]isoindol-5(9bh)-thione

Structural Information

Molecular Formula
C16H13NS2
SMILES
C1CSC2(N1C(=S)C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C16H13NS2/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
KXGIUDQKXMOGHF-UHFFFAOYSA-N
Compound name
9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

283.04895 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05623 162.5
[M+Na]+ 306.03817 174.2
[M-H]- 282.04167 170.2
[M+NH4]+ 301.08277 186.1
[M+K]+ 322.01211 168.0
[M+H-H2O]+ 266.04621 158.0
[M+HCOO]- 328.04715 174.2
[M+CH3COO]- 342.06280 175.2
[M+Na-2H]- 304.02362 163.6
[M]+ 283.04840 164.5
[M]- 283.04950 164.5
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

patents stripe