CID 154727680

7-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)-2-oxoethoxy)ethoxy)heptanoic acid

Structural Information

Molecular Formula
C24H29N3O9
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)COCCOCCCCCCC(=O)O
InChI
InChI=1S/C24H29N3O9/c28-18-10-9-17(22(32)26-18)27-23(33)15-6-5-7-16(21(15)24(27)34)25-19(29)14-36-13-12-35-11-4-2-1-3-8-20(30)31/h5-7,17H,1-4,8-14H2,(H,25,29)(H,30,31)(H,26,28,32)
InChIKey
PTXYFBNBOJXGJO-UHFFFAOYSA-N
Compound name
7-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]ethoxy]heptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.19037 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.19765 212.2
[M+Na]+ 526.17959 213.9
[M-H]- 502.18309 213.0
[M+NH4]+ 521.22419 216.3
[M+K]+ 542.15353 210.8
[M+H-H2O]+ 486.18763 203.1
[M+HCOO]- 548.18857 223.7
[M+CH3COO]- 562.20422 241.1
[M+Na-2H]- 524.16504 207.5
[M]+ 503.18982 214.9
[M]- 503.19092 214.9
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

No patent data available for this compound.