CID 162642713

2742652-78-2

Structural Information

Molecular Formula
C22H26N4O7
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCOCCC(=O)O
InChI
InChI=1S/C22H26N4O7/c27-18-4-3-17(20(30)23-18)26-21(31)15-2-1-14(13-16(15)22(26)32)25-8-6-24(7-9-25)10-12-33-11-5-19(28)29/h1-2,13,17H,3-12H2,(H,28,29)(H,23,27,30)
InChIKey
QEXXXOMKDFNBIX-UHFFFAOYSA-N
Compound name
3-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.18015 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.18743 208.8
[M+Na]+ 481.16937 216.2
[M+NH4]+ 476.21397 210.1
[M+K]+ 497.14331 215.1
[M-H]- 457.17287 207.6
[M+Na-2H]- 479.15482 207.4
[M]+ 458.17960 208.6
[M]- 458.18070 208.6
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

No patent data available for this compound.