CID 25058768

2-(2,6-dibromophenyl)-3-(2-thienylmethyl)thiazolidin-4-one

Structural Information

Molecular Formula
C14H11Br2NOS2
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Br)Br)CC3=CC=CS3
InChI
InChI=1S/C14H11Br2NOS2/c15-10-4-1-5-11(16)13(10)14-17(12(18)8-20-14)7-9-3-2-6-19-9/h1-6,14H,7-8H2
InChIKey
SZIANFCRAWCVBM-UHFFFAOYSA-N
Compound name
2-(2,6-dibromophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

430.86487 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.87215 151.2
[M+Na]+ 453.85409 165.5
[M-H]- 429.85759 163.3
[M+NH4]+ 448.89869 170.2
[M+K]+ 469.82803 149.7
[M+H-H2O]+ 413.86213 161.7
[M+HCOO]- 475.86307 160.9
[M+CH3COO]- 489.87872 166.0
[M+Na-2H]- 451.83954 152.7
[M]+ 430.86432 187.1
[M]- 430.86542 187.1
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.