CID 146410331

2412057-64-6

Structural Information

Molecular Formula
C15H15N3O5
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=C(C=C3)NCC(=O)O
InChI
InChI=1S/C15H15N3O5/c19-12-4-3-11(14(22)17-12)18-7-8-1-2-9(16-6-13(20)21)5-10(8)15(18)23/h1-2,5,11,16H,3-4,6-7H2,(H,20,21)(H,17,19,22)
InChIKey
OMDSCKPLWLIKRI-UHFFFAOYSA-N
Compound name
2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

317.10117 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.10845 171.4
[M+Na]+ 340.09039 179.7
[M+NH4]+ 335.13499 175.6
[M+K]+ 356.06433 178.2
[M-H]- 316.09389 171.0
[M+Na-2H]- 338.07584 172.3
[M]+ 317.10062 171.7
[M]- 317.10172 171.7
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