CID 3058067

2-((4-(1-piperidinyl)-2-butynyl)oxy)-1h-isoindole-1,3(2h)-dione monohydrochloride

Structural Information

Molecular Formula
C17H18N2O3
SMILES
C1CCN(CC1)CC#CCON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H18N2O3/c20-16-14-8-2-3-9-15(14)17(21)19(16)22-13-7-6-12-18-10-4-1-5-11-18/h2-3,8-9H,1,4-5,10-13H2
InChIKey
SIULHQFSPQNHSV-UHFFFAOYSA-N
Compound name
2-(4-piperidin-1-ylbut-2-ynoxy)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.13174 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13902 168.2
[M+Na]+ 321.12096 177.1
[M-H]- 297.12446 169.5
[M+NH4]+ 316.16556 181.2
[M+K]+ 337.09490 169.2
[M+H-H2O]+ 281.12900 153.2
[M+HCOO]- 343.12994 179.4
[M+CH3COO]- 357.14559 206.4
[M+Na-2H]- 319.10641 168.1
[M]+ 298.13119 160.8
[M]- 298.13229 160.8
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.