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

104
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 212.3
[M+Na]+ 462.21117 214.2
[M-H]- 438.21467 214.5
[M+NH4]+ 457.25577 214.5
[M+K]+ 478.18511 206.2
[M+H-H2O]+ 422.21921 199.1
[M+HCOO]- 484.22015 213.4
[M+CH3COO]- 498.23580 215.0
[M+Na-2H]- 460.19662 203.9
[M]+ 439.22140 199.1
[M]- 439.22250 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