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]+ 285.15975 170.3
[M+Na]+ 307.14169 180.8
[M-H]- 283.14519 172.6
[M+NH4]+ 302.18629 190.3
[M+K]+ 323.11563 171.5
[M+H-H2O]+ 267.14973 158.3
[M+HCOO]- 329.15067 182.0
[M+CH3COO]- 343.16632 179.5
[M+Na-2H]- 305.12714 164.5
[M]+ 284.15192 164.3
[M]- 284.15302 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.