CID 15956373

Chembl382446

Structural Information

Molecular Formula
C13H9ClN2OS
SMILES
C1[C@@H]([C@]12C3=C(C=CC(=C3)Cl)NC2=O)C4=NC=CS4
InChI
InChI=1S/C13H9ClN2OS/c14-7-1-2-10-8(5-7)13(12(17)16-10)6-9(13)11-15-3-4-18-11/h1-5,9H,6H2,(H,16,17)/t9-,13-/m1/s1
InChIKey
FADDGLGMXWJUCO-NOZJJQNGSA-N
Compound name
(2'S,3S)-5-chloro-2'-(1,3-thiazol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.01242 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.01970 157.7
[M+Na]+ 299.00164 171.7
[M-H]- 275.00514 165.0
[M+NH4]+ 294.04624 174.4
[M+K]+ 314.97558 164.7
[M+H-H2O]+ 259.00968 152.9
[M+HCOO]- 321.01062 169.4
[M+CH3COO]- 335.02627 170.2
[M+Na-2H]- 296.98709 158.8
[M]+ 276.01187 163.1
[M]- 276.01297 163.1
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.