CID 3490667

3-((4-bromophenyl)sulfonyl)-5-ethyl-2-(phenylimino)-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C17H15BrN2O3S2
SMILES
CCC1C(=O)N(C(=NC2=CC=CC=C2)S1)S(=O)(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C17H15BrN2O3S2/c1-2-15-16(21)20(17(24-15)19-13-6-4-3-5-7-13)25(22,23)14-10-8-12(18)9-11-14/h3-11,15H,2H2,1H3
InChIKey
UCSNIWCHMSIGKD-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)sulfonyl-5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.97076 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.97804 178.2
[M+Na]+ 460.95998 190.9
[M-H]- 436.96348 190.5
[M+NH4]+ 456.00458 193.7
[M+K]+ 476.93392 176.9
[M+H-H2O]+ 420.96802 177.6
[M+HCOO]- 482.96896 190.2
[M+CH3COO]- 496.98461 220.4
[M+Na-2H]- 458.94543 180.7
[M]+ 437.97021 199.6
[M]- 437.97131 199.6
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.