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

88
Patents

439.22195 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.229226 212.3
[M+Na]+ 462.211168 214.2
[M-H]- 438.214674 214.5
[M+NH4]+ 457.255773 214.5
[M+K]+ 478.185108 206.2
[M+H-H2O]+ 422.219210 199.1
[M+HCOO]- 484.220151 213.4
[M+CH3COO]- 498.235801 215.0
[M+Na-2H]- 460.196616 203.9
[M]+ 439.22140142 199.1
[M]- 439.22249858 199.1
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

patents stripe