CID 132118673

2230956-83-7

Structural Information

Molecular Formula
C17H18N4O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCNCC4
InChI
InChI=1S/C17H18N4O4/c22-13-5-4-12(15(23)19-13)21-16(24)10-2-1-3-11(14(10)17(21)25)20-8-6-18-7-9-20/h1-3,12,18H,4-9H2,(H,19,22,23)
InChIKey
APURBVBIOACKLC-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-4-piperazin-1-ylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

342.1328 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.140076 183.4
[M+Na]+ 365.122018 189.2
[M-H]- 341.125524 185.4
[M+NH4]+ 360.166623 191.9
[M+K]+ 381.095958 182.4
[M+H-H2O]+ 325.130060 173.0
[M+HCOO]- 387.131001 191.3
[M+CH3COO]- 401.146651 190.2
[M+Na-2H]- 363.107466 179.9
[M]+ 342.13225142 174.2
[M]- 342.13334858 174.2
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

patents stripe