CID 3043139

3-(2-thiazolidinyl)-1h-indole

Structural Information

Molecular Formula
C11H12N2S
SMILES
C1CSC(N1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C11H12N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-4,7,11-13H,5-6H2
InChIKey
BNKKCGMLJYAMBT-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.07211 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07939 142.0
[M+Na]+ 227.06133 151.7
[M-H]- 203.06483 145.3
[M+NH4]+ 222.10593 162.7
[M+K]+ 243.03527 146.3
[M+H-H2O]+ 187.06937 136.2
[M+HCOO]- 249.07031 157.4
[M+CH3COO]- 263.08596 154.6
[M+Na-2H]- 225.04678 143.6
[M]+ 204.07156 140.0
[M]- 204.07266 140.0
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.