CID 134589678

2225940-47-4

Structural Information

Molecular Formula
C17H17N3O6
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCC(=O)O
InChI
InChI=1S/C17H17N3O6/c21-12-7-6-11(15(24)19-12)20-16(25)9-3-1-4-10(14(9)17(20)26)18-8-2-5-13(22)23/h1,3-4,11,18H,2,5-8H2,(H,22,23)(H,19,21,24)
InChIKey
DXQHHPDVZILLOC-UHFFFAOYSA-N
Compound name
4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

359.11172 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.118996 179.6
[M+Na]+ 382.100938 185.7
[M-H]- 358.104444 181.8
[M+NH4]+ 377.145543 190.3
[M+K]+ 398.074878 181.0
[M+H-H2O]+ 342.108980 171.7
[M+HCOO]- 404.109921 193.9
[M+CH3COO]- 418.125571 213.8
[M+Na-2H]- 380.086386 177.8
[M]+ 359.11117142 177.1
[M]- 359.11226858 177.1
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