CID 134589383

2225940-51-0

Structural Information

Molecular Formula
C21H25N3O6
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCCC(=O)O
InChI
InChI=1S/C21H25N3O6/c25-16-11-10-15(19(28)23-16)24-20(29)13-7-6-8-14(18(13)21(24)30)22-12-5-3-1-2-4-9-17(26)27/h6-8,15,22H,1-5,9-12H2,(H,26,27)(H,23,25,28)
InChIKey
IJDAOSIFULSGHH-UHFFFAOYSA-N
Compound name
8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

415.17435 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.18163 196.7
[M+Na]+ 438.16357 200.8
[M-H]- 414.16707 198.0
[M+NH4]+ 433.20817 205.0
[M+K]+ 454.13751 195.5
[M+H-H2O]+ 398.17161 188.0
[M+HCOO]- 460.17255 209.5
[M+CH3COO]- 474.18820 225.6
[M+Na-2H]- 436.14902 193.0
[M]+ 415.17380 195.5
[M]- 415.17490 195.5
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