CID 15956392

Chembl203950

Structural Information

Molecular Formula
C19H13ClN2O
SMILES
C1[C@@H]([C@]12C3=C(C=CC(=C3)Cl)NC2=O)C4=NC5=CC=CC=C5C=C4
InChI
InChI=1S/C19H13ClN2O/c20-12-6-8-16-13(9-12)19(18(23)22-16)10-14(19)17-7-5-11-3-1-2-4-15(11)21-17/h1-9,14H,10H2,(H,22,23)/t14-,19-/m1/s1
InChIKey
MKZXULCKOFGCET-AUUYWEPGSA-N
Compound name
(2'S,3S)-5-chloro-2'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.07166 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.07894 177.1
[M+Na]+ 343.06088 190.4
[M-H]- 319.06438 184.2
[M+NH4]+ 338.10548 190.2
[M+K]+ 359.03482 181.4
[M+H-H2O]+ 303.06892 168.9
[M+HCOO]- 365.06986 190.1
[M+CH3COO]- 379.08551 187.8
[M+Na-2H]- 341.04633 181.4
[M]+ 320.07111 180.0
[M]- 320.07221 180.0
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.