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

26
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 194.4
[M+Na]+ 423.12750 199.4
[M-H]- 399.13100 196.4
[M+NH4]+ 418.17210 200.3
[M+K]+ 439.10144 193.9
[M+H-H2O]+ 383.13554 184.2
[M+HCOO]- 445.13648 201.0
[M+CH3COO]- 459.15213 219.2
[M+Na-2H]- 421.11295 189.0
[M]+ 400.13773 187.9
[M]- 400.13883 187.9
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