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

21
Patents

402.1427 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.149976 191.4
[M+Na]+ 425.131918 196.8
[M-H]- 401.135424 193.0
[M+NH4]+ 420.176523 200.6
[M+K]+ 441.105858 192.2
[M+H-H2O]+ 385.139960 183.2
[M+HCOO]- 447.140901 203.7
[M+CH3COO]- 461.156551 219.5
[M+Na-2H]- 423.117366 187.7
[M]+ 402.14215142 192.0
[M]- 402.14324858 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