CID 455083

Chembl83362

Structural Information

Molecular Formula
C24H17NOS
SMILES
C1CSC2(N1C(=O)C3=CC=CC=C32)C4=C5C=CC=CC5=CC6=CC=CC=C64
InChI
InChI=1S/C24H17NOS/c26-23-20-11-5-6-12-21(20)24(25(23)13-14-27-24)22-18-9-3-1-7-16(18)15-17-8-2-4-10-19(17)22/h1-12,15H,13-14H2
InChIKey
SLZIXYGPYFYCPU-UHFFFAOYSA-N
Compound name
9b-anthracen-9-yl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

367.1031 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.11038 186.8
[M+Na]+ 390.09232 199.0
[M-H]- 366.09582 196.7
[M+NH4]+ 385.13692 208.0
[M+K]+ 406.06626 190.8
[M+H-H2O]+ 350.10036 179.1
[M+HCOO]- 412.10130 201.5
[M+CH3COO]- 426.11695 198.3
[M+Na-2H]- 388.07777 189.6
[M]+ 367.10255 190.5
[M]- 367.10365 190.5
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.