CID 217696

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

Structural Information

Molecular Formula
C17H20N2O2
SMILES
C1CCN(C1)CC#CCN2C(=O)C3C4CC(C3C2=O)C=C4
InChI
InChI=1S/C17H20N2O2/c20-16-14-12-5-6-13(11-12)15(14)17(21)19(16)10-4-3-9-18-7-1-2-8-18/h5-6,12-15H,1-2,7-11H2
InChIKey
WLHRLHBLEQCWJZ-UHFFFAOYSA-N
Compound name
4-(4-pyrrolidin-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

284.15247 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.159746 170.3
[M+Na]+ 307.141688 180.8
[M-H]- 283.145194 172.6
[M+NH4]+ 302.186293 190.3
[M+K]+ 323.115628 171.5
[M+H-H2O]+ 267.149730 158.3
[M+HCOO]- 329.150671 182.0
[M+CH3COO]- 343.166321 179.5
[M+Na-2H]- 305.127136 164.5
[M]+ 284.15192142 164.3
[M]- 284.15301858 164.3
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.