CID 15956397

Chembl205756

Structural Information

Molecular Formula
C21H15ClN2O
SMILES
C1[C@@H]([C@]12C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC(=N4)C5=CC=CC=C5
InChI
InChI=1S/C21H15ClN2O/c22-14-9-10-19-15(11-14)21(20(25)24-19)12-16(21)18-8-4-7-17(23-18)13-5-2-1-3-6-13/h1-11,16H,12H2,(H,24,25)/t16-,21-/m1/s1
InChIKey
RAKDWRKORKWPNZ-IIBYNOLFSA-N
Compound name
(2'S,3S)-5-chloro-2'-(6-phenylpyridin-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.08728 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.09456 182.5
[M+Na]+ 369.07650 194.7
[M-H]- 345.08000 191.5
[M+NH4]+ 364.12110 193.3
[M+K]+ 385.05044 185.9
[M+H-H2O]+ 329.08454 173.5
[M+HCOO]- 391.08548 196.7
[M+CH3COO]- 405.10113 192.7
[M+Na-2H]- 367.06195 185.3
[M]+ 346.08673 184.8
[M]- 346.08783 184.8
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.