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

literature stripe

Patent stripe

patents stripe