CID 145874700

2375260-16-3

Structural Information

Molecular Formula
C15H14N2O5
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C=CC=C3C2=O)CC(=O)O
InChI
InChI=1S/C15H14N2O5/c18-12-5-4-11(14(21)16-12)17-7-10-8(6-13(19)20)2-1-3-9(10)15(17)22/h1-3,11H,4-7H2,(H,19,20)(H,16,18,21)
InChIKey
NAGHVTSOYVXAPJ-UHFFFAOYSA-N
Compound name
2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

302.09027 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09755 168.4
[M+Na]+ 325.07949 177.9
[M+NH4]+ 320.12409 173.1
[M+K]+ 341.05343 176.0
[M-H]- 301.08299 167.8
[M+Na-2H]- 323.06494 169.5
[M]+ 302.08972 168.9
[M]- 302.09082 168.9
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