CID 134413720

2228029-82-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

573
Patents

342.1328 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14008 183.4
[M+Na]+ 365.12202 189.2
[M-H]- 341.12552 185.4
[M+NH4]+ 360.16662 191.9
[M+K]+ 381.09596 182.4
[M+H-H2O]+ 325.13006 173.0
[M+HCOO]- 387.13100 191.3
[M+CH3COO]- 401.14665 190.2
[M+Na-2H]- 363.10747 179.9
[M]+ 342.13225 174.2
[M]- 342.13335 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