CID 15956439

5'-bromo-2-hexanoyl-spiro[cyclopropane-1,3'-indoline]-2'-one

Structural Information

Molecular Formula
C16H18BrNO2
SMILES
CCCCCC(=O)C1CC12C3=C(C=CC(=C3)Br)NC2=O
InChI
InChI=1S/C16H18BrNO2/c1-2-3-4-5-14(19)12-9-16(12)11-8-10(17)6-7-13(11)18-15(16)20/h6-8,12H,2-5,9H2,1H3,(H,18,20)
InChIKey
KZBDGFCPQKTEKM-UHFFFAOYSA-N
Compound name
5-bromo-2'-hexanoylspiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.0521 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.05938 174.8
[M+Na]+ 358.04132 188.2
[M-H]- 334.04482 182.0
[M+NH4]+ 353.08592 191.2
[M+K]+ 374.01526 174.6
[M+H-H2O]+ 318.04936 175.2
[M+HCOO]- 380.05030 190.8
[M+CH3COO]- 394.06595 206.5
[M+Na-2H]- 356.02677 177.9
[M]+ 335.05155 195.8
[M]- 335.05265 195.8
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.