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]+ 205.079386 142.0
[M+Na]+ 227.061328 151.7
[M-H]- 203.064834 145.3
[M+NH4]+ 222.105933 162.7
[M+K]+ 243.035268 146.3
[M+H-H2O]+ 187.069370 136.2
[M+HCOO]- 249.070311 157.4
[M+CH3COO]- 263.085961 154.6
[M+Na-2H]- 225.046776 143.6
[M]+ 204.07156142 140.0
[M]- 204.07265858 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.