CID 9858695

444289-11-6

Structural Information

Molecular Formula
C15H14N4O5
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CN
InChI
InChI=1S/C15H14N4O5/c16-6-11(21)17-8-3-1-2-7-12(8)15(24)19(14(7)23)9-4-5-10(20)18-13(9)22/h1-3,9H,4-6,16H2,(H,17,21)(H,18,20,22)
InChIKey
LPMWLZKQEVOOMZ-UHFFFAOYSA-N
Compound name
2-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

330.0964 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10368 172.4
[M+Na]+ 353.08562 179.3
[M-H]- 329.08912 175.9
[M+NH4]+ 348.13022 184.7
[M+K]+ 369.05956 174.9
[M+H-H2O]+ 313.09366 164.5
[M+HCOO]- 375.09460 189.2
[M+CH3COO]- 389.11025 212.0
[M+Na-2H]- 351.07107 171.5
[M]+ 330.09585 168.0
[M]- 330.09695 168.0
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