CID 15956426

Chembl380147

Structural Information

Molecular Formula
C17H15NO3S
SMILES
CCOC(=O)[C@H]1C[C@@]12C3=C(C=CC(=C3)C4=CC=CS4)NC2=O
InChI
InChI=1S/C17H15NO3S/c1-2-21-15(19)12-9-17(12)11-8-10(14-4-3-7-22-14)5-6-13(11)18-16(17)20/h3-8,12H,2,9H2,1H3,(H,18,20)/t12-,17-/m1/s1
InChIKey
SVZNBZIFBPBABQ-SJKOYZFVSA-N
Compound name
ethyl (1'S,3S)-2-oxo-5-thiophen-2-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.07727 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.08455 169.1
[M+Na]+ 336.06649 180.5
[M-H]- 312.06999 177.5
[M+NH4]+ 331.11109 184.6
[M+K]+ 352.04043 175.0
[M+H-H2O]+ 296.07453 164.8
[M+HCOO]- 358.07547 184.6
[M+CH3COO]- 372.09112 180.9
[M+Na-2H]- 334.05194 168.9
[M]+ 313.07672 175.3
[M]- 313.07782 175.3
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.