CID 15956388

Chembl203464

Structural Information

Molecular Formula
C17H13ClN2O
SMILES
C=CC1=NC(=CC=C1)[C@H]2C[C@@]23C4=C(C=CC(=C4)Cl)NC3=O
InChI
InChI=1S/C17H13ClN2O/c1-2-11-4-3-5-14(19-11)13-9-17(13)12-8-10(18)6-7-15(12)20-16(17)21/h2-8,13H,1,9H2,(H,20,21)/t13-,17-/m1/s1
InChIKey
PVDWOORAPDGNDR-CXAGYDPISA-N
Compound name
(2'S,3S)-5-chloro-2'-(6-ethenylpyridin-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.07166 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07894 170.9
[M+Na]+ 319.06088 183.9
[M-H]- 295.06438 177.3
[M+NH4]+ 314.10548 184.2
[M+K]+ 335.03482 175.2
[M+H-H2O]+ 279.06892 163.5
[M+HCOO]- 341.06986 185.1
[M+CH3COO]- 355.08551 182.0
[M+Na-2H]- 317.04633 173.8
[M]+ 296.07111 173.7
[M]- 296.07221 173.7
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.