CID 3058072

Brn 5754252

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CC1CCCCN1CC#CCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H20N2O2/c1-14-8-4-5-11-19(14)12-6-7-13-20-17(21)15-9-2-3-10-16(15)18(20)22/h2-3,9-10,14H,4-5,8,11-13H2,1H3
InChIKey
IIKRGIXCCQZOGS-UHFFFAOYSA-N
Compound name
2-[4-(2-methylpiperidin-1-yl)but-2-ynyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.15247 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 170.2
[M+Na]+ 319.14169 179.6
[M-H]- 295.14519 171.7
[M+NH4]+ 314.18629 183.6
[M+K]+ 335.11563 170.9
[M+H-H2O]+ 279.14973 155.4
[M+HCOO]- 341.15067 180.8
[M+CH3COO]- 355.16632 208.3
[M+Na-2H]- 317.12714 168.8
[M]+ 296.15192 162.1
[M]- 296.15302 162.1
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.