CID 134589678

Pomalidomide 4'-alkylc3-acid

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

171
Patents

359.11172 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.11900 179.6
[M+Na]+ 382.10094 185.7
[M-H]- 358.10444 181.8
[M+NH4]+ 377.14554 190.3
[M+K]+ 398.07488 181.0
[M+H-H2O]+ 342.10898 171.7
[M+HCOO]- 404.10992 193.9
[M+CH3COO]- 418.12557 213.8
[M+Na-2H]- 380.08639 177.8
[M]+ 359.11117 177.1
[M]- 359.11227 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