CID 513681

3-(6-bromopyridin-2-yl)-2-(2,6-dimethylphenyl)-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C16H15BrN2OS
SMILES
CC1=C(C(=CC=C1)C)C2N(C(=O)CS2)C3=NC(=CC=C3)Br
InChI
InChI=1S/C16H15BrN2OS/c1-10-5-3-6-11(2)15(10)16-19(14(20)9-21-16)13-8-4-7-12(17)18-13/h3-8,16H,9H2,1-2H3
InChIKey
RJDCRHYYBOFHGR-UHFFFAOYSA-N
Compound name
3-(6-bromopyridin-2-yl)-2-(2,6-dimethylphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.00885 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.01613 167.9
[M+Na]+ 384.99807 181.5
[M-H]- 361.00157 178.7
[M+NH4]+ 380.04267 185.1
[M+K]+ 400.97201 168.4
[M+H-H2O]+ 345.00611 167.2
[M+HCOO]- 407.00705 182.3
[M+CH3COO]- 421.02270 181.9
[M+Na-2H]- 382.98352 168.4
[M]+ 362.00830 188.2
[M]- 362.00940 188.2
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.