CID 3058069

Brn 5591379

Structural Information

Molecular Formula
C19H22N2O3
SMILES
C[C@@H]1CCC[C@@H](N1CC#CCON2C(=O)C3=CC=CC=C3C2=O)C
InChI
InChI=1S/C19H22N2O3/c1-14-8-7-9-15(2)20(14)12-5-6-13-24-21-18(22)16-10-3-4-11-17(16)19(21)23/h3-4,10-11,14-15H,7-9,12-13H2,1-2H3/t14-,15+
InChIKey
PBTSDRVQDNSVRY-GASCZTMLSA-N
Compound name
2-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]but-2-ynoxy]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.16306 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 179.1
[M+Na]+ 349.15228 190.3
[M+NH4]+ 344.19688 182.2
[M+K]+ 365.12622 181.8
[M-H]- 325.15578 172.7
[M+Na-2H]- 347.13773 178.9
[M]+ 326.16251 177.9
[M]- 326.16361 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.