CID 146155174

2416234-73-4

Structural Information

Molecular Formula
C19H20N2O9
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCOCCOCC(=O)O
InChI
InChI=1S/C19H20N2O9/c22-14-5-4-12(17(25)20-14)21-18(26)11-2-1-3-13(16(11)19(21)27)30-9-8-28-6-7-29-10-15(23)24/h1-3,12H,4-10H2,(H,23,24)(H,20,22,25)
InChIKey
ASMQSWAYUWZHNG-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.11688 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.12416 189.9
[M+Na]+ 443.10610 194.9
[M-H]- 419.10960 191.6
[M+NH4]+ 438.15070 197.9
[M+K]+ 459.08004 192.3
[M+H-H2O]+ 403.11414 181.5
[M+HCOO]- 465.11508 202.8
[M+CH3COO]- 479.13073 221.3
[M+Na-2H]- 441.09155 187.5
[M]+ 420.11633 193.0
[M]- 420.11743 193.0
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

No patent data available for this compound.