CID 15956379

Chembl426491

Structural Information

Molecular Formula
C17H14ClNO2
SMILES
COC1=CC=C(C=C1)[C@H]2C[C@@]23C4=C(C=CC(=C4)Cl)NC3=O
InChI
InChI=1S/C17H14ClNO2/c1-21-12-5-2-10(3-6-12)14-9-17(14)13-8-11(18)4-7-15(13)19-16(17)20/h2-8,14H,9H2,1H3,(H,19,20)/t14-,17-/m1/s1
InChIKey
KEBOIFJBKNJUQR-RHSMWYFYSA-N
Compound name
(2'R,3S)-5-chloro-2'-(4-methoxyphenyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.07132 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.07860 167.0
[M+Na]+ 322.06054 179.8
[M-H]- 298.06404 175.1
[M+NH4]+ 317.10514 181.7
[M+K]+ 338.03448 172.5
[M+H-H2O]+ 282.06858 160.9
[M+HCOO]- 344.06952 182.6
[M+CH3COO]- 358.08517 179.0
[M+Na-2H]- 320.04599 170.6
[M]+ 299.07077 171.7
[M]- 299.07187 171.7
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.