CID 15956375

Chembl381180

Structural Information

Molecular Formula
C15H11ClN2O
SMILES
C1[C@@H]([C@]12C3=C(C=CC(=C3)Cl)NC2=O)C4=CN=CC=C4
InChI
InChI=1S/C15H11ClN2O/c16-10-3-4-13-11(6-10)15(14(19)18-13)7-12(15)9-2-1-5-17-8-9/h1-6,8,12H,7H2,(H,18,19)/t12-,15-/m1/s1
InChIKey
VQSBVIDGIRDUGI-IUODEOHRSA-N
Compound name
(2'R,3S)-5-chloro-2'-pyridin-3-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.056 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06328 162.8
[M+Na]+ 293.04522 175.6
[M-H]- 269.04872 169.3
[M+NH4]+ 288.08982 177.0
[M+K]+ 309.01916 167.9
[M+H-H2O]+ 253.05326 155.5
[M+HCOO]- 315.05420 177.6
[M+CH3COO]- 329.06985 174.4
[M+Na-2H]- 291.03067 167.5
[M]+ 270.05545 165.2
[M]- 270.05655 165.2
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.