CID 15956394

Chembl207581

Structural Information

Molecular Formula
C19H13ClN2O2
SMILES
C1[C@@H]([C@]12C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC(=N4)C5=CC=CO5
InChI
InChI=1S/C19H13ClN2O2/c20-11-6-7-15-12(9-11)19(18(23)22-15)10-13(19)14-3-1-4-16(21-14)17-5-2-8-24-17/h1-9,13H,10H2,(H,22,23)/t13-,19-/m1/s1
InChIKey
JSLKPGPZWIAUGT-BFUOFWGJSA-N
Compound name
(2'S,3S)-5-chloro-2'-[6-(furan-2-yl)pyridin-2-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.06656 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07384 176.5
[M+Na]+ 359.05578 189.6
[M-H]- 335.05928 187.0
[M+NH4]+ 354.10038 188.4
[M+K]+ 375.02972 182.8
[M+H-H2O]+ 319.06382 169.3
[M+HCOO]- 381.06476 191.1
[M+CH3COO]- 395.08041 188.0
[M+Na-2H]- 357.04123 178.2
[M]+ 336.06601 181.2
[M]- 336.06711 181.2
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.