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

18
Patents

400.13828 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.145556 194.4
[M+Na]+ 423.127498 199.4
[M-H]- 399.131004 196.4
[M+NH4]+ 418.172103 200.3
[M+K]+ 439.101438 193.9
[M+H-H2O]+ 383.135540 184.2
[M+HCOO]- 445.136481 201.0
[M+CH3COO]- 459.152131 219.2
[M+Na-2H]- 421.112946 189.0
[M]+ 400.13773142 187.9
[M]- 400.13882858 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