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

33
Patents

317.10117 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.108446 169.6
[M+Na]+ 340.090388 175.8
[M-H]- 316.093894 171.8
[M+NH4]+ 335.134993 182.1
[M+K]+ 356.064328 171.3
[M+H-H2O]+ 300.098430 161.9
[M+HCOO]- 362.099371 184.4
[M+CH3COO]- 376.115021 204.7
[M+Na-2H]- 338.075836 169.2
[M]+ 317.10062142 165.4
[M]- 317.10171858 165.4
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