CID 217694

3a,4,7,7a-tetrahydro-2-(4-(1-piperidinyl)-2-butynyl)-4,7-methano-1h-isoindole-1,3-dione hcl

Structural Information

Molecular Formula
C18H22N2O2
SMILES
C1CCN(CC1)CC#CCN2C(=O)C3C4CC(C3C2=O)C=C4
InChI
InChI=1S/C18H22N2O2/c21-17-15-13-6-7-14(12-13)16(15)18(22)20(17)11-5-4-10-19-8-2-1-3-9-19/h6-7,13-16H,1-3,8-12H2
InChIKey
IFMSIODHHAJOMQ-UHFFFAOYSA-N
Compound name
4-(4-piperidin-1-ylbut-2-ynyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 175.5
[M+Na]+ 321.15734 183.5
[M+NH4]+ 316.20194 179.8
[M+K]+ 337.13128 178.5
[M-H]- 297.16084 168.0
[M+Na-2H]- 319.14279 171.6
[M]+ 298.16757 173.4
[M]- 298.16867 173.4
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.