CID 132211974

Thalidomide-o-c6-cooh

Structural Information

Molecular Formula
C20H22N2O7
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCCCCCC(=O)O
InChI
InChI=1S/C20H22N2O7/c23-15-10-9-13(18(26)21-15)22-19(27)12-6-5-7-14(17(12)20(22)28)29-11-4-2-1-3-8-16(24)25/h5-7,13H,1-4,8-11H2,(H,24,25)(H,21,23,26)
InChIKey
BATNDOUDCIVVSL-UHFFFAOYSA-N
Compound name
7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

402.1427 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.14998 191.4
[M+Na]+ 425.13192 196.8
[M-H]- 401.13542 193.0
[M+NH4]+ 420.17652 200.6
[M+K]+ 441.10586 192.2
[M+H-H2O]+ 385.13996 183.2
[M+HCOO]- 447.14090 203.8
[M+CH3COO]- 461.15655 219.5
[M+Na-2H]- 423.11737 187.7
[M]+ 402.14215 192.0
[M]- 402.14325 192.0
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