CID 203241

Phthalimide, n-(6-(1-pyrrolidinyl)-4-hexynyl)-, monohydrochloride

Structural Information

Molecular Formula
C18H20N2O2
SMILES
C1CCN(C1)CC#CCCCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H20N2O2/c21-17-15-9-3-4-10-16(15)18(22)20(17)14-6-2-1-5-11-19-12-7-8-13-19/h3-4,9-10H,2,6-8,11-14H2
InChIKey
RGBPLIHIENSKMG-UHFFFAOYSA-N
Compound name
2-(6-pyrrolidin-1-ylhex-4-ynyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.15247 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 171.1
[M+Na]+ 319.14169 180.5
[M-H]- 295.14519 172.7
[M+NH4]+ 314.18629 186.0
[M+K]+ 335.11563 171.9
[M+H-H2O]+ 279.14973 156.4
[M+HCOO]- 341.15067 183.8
[M+CH3COO]- 355.16632 207.0
[M+Na-2H]- 317.12714 168.7
[M]+ 296.15192 164.8
[M]- 296.15302 164.8
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.