CID 15956372

Chembl205315

Structural Information

Molecular Formula
C14H10ClNOS
SMILES
C1[C@@H]([C@]12C3=C(C=CC(=C3)Cl)NC2=O)C4=CSC=C4
InChI
InChI=1S/C14H10ClNOS/c15-9-1-2-12-10(5-9)14(13(17)16-12)6-11(14)8-3-4-18-7-8/h1-5,7,11H,6H2,(H,16,17)/t11-,14-/m1/s1
InChIKey
KLQRAGDMAQTMKP-BXUZGUMPSA-N
Compound name
(2'S,3S)-5-chloro-2'-thiophen-3-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.01715 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.02443 155.3
[M+Na]+ 298.00637 168.8
[M-H]- 274.00987 163.8
[M+NH4]+ 293.05097 173.3
[M+K]+ 313.98031 161.9
[M+H-H2O]+ 258.01441 151.3
[M+HCOO]- 320.01535 167.8
[M+CH3COO]- 334.03100 168.3
[M+Na-2H]- 295.99182 156.5
[M]+ 275.01660 160.7
[M]- 275.01770 160.7
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.