CID 134580153

2758431-93-3

Structural Information

Molecular Formula
C23H29N5O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCN(CC4)CC5CCNCC5
InChI
InChI=1S/C23H29N5O4/c29-20-4-3-19(21(30)25-20)28-22(31)17-2-1-16(13-18(17)23(28)32)27-11-9-26(10-12-27)14-15-5-7-24-8-6-15/h1-2,13,15,19,24H,3-12,14H2,(H,25,29,30)
InChIKey
QFINOKRWTWRQRO-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

439.22195 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.22923 210.1
[M+Na]+ 462.21117 219.1
[M+NH4]+ 457.25577 213.5
[M+K]+ 478.18511 215.7
[M-H]- 438.21467 212.2
[M+Na-2H]- 460.19662 210.8
[M]+ 439.22140 211.2
[M]- 439.22250 211.2
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