CID 146410371

Thalidomide-5-nh2-ch2-cooh

Structural Information

Molecular Formula
C15H13N3O6
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)NCC(=O)O
InChI
InChI=1S/C15H13N3O6/c19-11-4-3-10(13(22)17-11)18-14(23)8-2-1-7(16-6-12(20)21)5-9(8)15(18)24/h1-2,5,10,16H,3-4,6H2,(H,20,21)(H,17,19,22)
InChIKey
ZATMCTCUKSYXHM-UHFFFAOYSA-N
Compound name
2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

331.08044 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.08772 173.4
[M+Na]+ 354.06966 181.5
[M+NH4]+ 349.11426 176.6
[M+K]+ 370.04360 180.7
[M-H]- 330.07316 172.3
[M+Na-2H]- 352.05511 173.5
[M]+ 331.07989 173.3
[M]- 331.08099 173.3
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