CID 156049880

2591180-39-9

Structural Information

Molecular Formula
C19H20N4O6
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCN(CC4)CC(=O)O
InChI
InChI=1S/C19H20N4O6/c24-15-4-3-14(17(27)20-15)23-18(28)12-2-1-11(9-13(12)19(23)29)22-7-5-21(6-8-22)10-16(25)26/h1-2,9,14H,3-8,10H2,(H,25,26)(H,20,24,27)
InChIKey
KKROJYHJCUOZOJ-UHFFFAOYSA-N
Compound name
2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

400.13828 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.14556 194.1
[M+Na]+ 423.12750 202.7
[M+NH4]+ 418.17210 196.5
[M+K]+ 439.10144 201.6
[M-H]- 399.13100 193.5
[M+Na-2H]- 421.11295 193.8
[M]+ 400.13773 194.3
[M]- 400.13883 194.3
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