CID 135465464

Chembl203527

Structural Information

Molecular Formula
C19H13ClN2O2
SMILES
C1[C@@H]([C@]12C3=C(C=CC(=C3)Cl)NC2=O)C4=NC5=C(C=C4)C(=CC=C5)O
InChI
InChI=1S/C19H13ClN2O2/c20-10-4-6-15-12(8-10)19(18(24)22-15)9-13(19)16-7-5-11-14(21-16)2-1-3-17(11)23/h1-8,13,23H,9H2,(H,22,24)/t13-,19-/m1/s1
InChIKey
CHVQXALUNKPSLR-BFUOFWGJSA-N
Compound name
(2'S,3S)-5-chloro-2'-(5-hydroxyquinolin-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

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07384 179.0
[M+Na]+ 359.05578 192.6
[M-H]- 335.05928 185.3
[M+NH4]+ 354.10038 191.1
[M+K]+ 375.02972 183.3
[M+H-H2O]+ 319.06382 171.7
[M+HCOO]- 381.06476 190.7
[M+CH3COO]- 395.08041 189.3
[M+Na-2H]- 357.04123 182.6
[M]+ 336.06601 182.3
[M]- 336.06711 182.3
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.