CID 217698

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

Structural Information

Molecular Formula
C17H20N2O3
SMILES
C1COCCN1CC#CCN2C(=O)C3C4CC(C3C2=O)C=C4
InChI
InChI=1S/C17H20N2O3/c20-16-14-12-3-4-13(11-12)15(14)17(21)19(16)6-2-1-5-18-7-9-22-10-8-18/h3-4,12-15H,5-11H2
InChIKey
MGPSEOLGODFQJT-UHFFFAOYSA-N
Compound name
4-(4-morpholin-4-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

300.1474 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15468 174.0
[M+Na]+ 323.13662 182.1
[M+NH4]+ 318.18122 177.8
[M+K]+ 339.11056 178.1
[M-H]- 299.14012 167.1
[M+Na-2H]- 321.12207 169.4
[M]+ 300.14685 172.0
[M]- 300.14795 172.0
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.