CID 375558

Nsc655346

Structural Information

Molecular Formula
C17H13ClN2OS
SMILES
C1C(=O)N(C(S1)C2=CNC3=CC=CC=C32)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C17H13ClN2OS/c18-11-4-3-5-12(8-11)20-16(21)10-22-17(20)14-9-19-15-7-2-1-6-13(14)15/h1-9,17,19H,10H2
InChIKey
BDYUENCUGFQKDI-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0437 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.05098 175.0
[M+Na]+ 351.03292 187.1
[M-H]- 327.03642 183.3
[M+NH4]+ 346.07752 192.3
[M+K]+ 367.00686 179.1
[M+H-H2O]+ 311.04096 168.4
[M+HCOO]- 373.04190 186.9
[M+CH3COO]- 387.05755 186.9
[M+Na-2H]- 349.01837 173.4
[M]+ 328.04315 178.2
[M]- 328.04425 178.2
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.