CID 3057291

74008-10-9

Structural Information

Molecular Formula
C15H13BrN2OS
SMILES
C1C(=O)N(C(S1)C2=CC=CC=C2)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C15H13BrN2OS/c16-12-6-8-13(9-7-12)17-18-14(19)10-20-15(18)11-4-2-1-3-5-11/h1-9,15,17H,10H2
InChIKey
XHXPBTBIVOETMS-UHFFFAOYSA-N
Compound name
3-(4-bromoanilino)-2-phenyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.9932 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.00048 164.1
[M+Na]+ 370.98242 175.5
[M-H]- 346.98592 175.4
[M+NH4]+ 366.02702 182.1
[M+K]+ 386.95636 162.4
[M+H-H2O]+ 330.99046 163.1
[M+HCOO]- 392.99140 180.9
[M+CH3COO]- 407.00705 177.9
[M+Na-2H]- 368.96787 167.0
[M]+ 347.99265 182.1
[M]- 347.99375 182.1
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.