CID 22833420

95823-42-0

Structural Information

Molecular Formula
C25H24N2O8
SMILES
CC(COCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O)COCCN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C25H24N2O8/c1-15(13-34-10-8-26-21(28)17-4-2-3-5-18(17)22(26)29)14-35-11-9-27-23(30)19-7-6-16(25(32)33)12-20(19)24(27)31/h2-7,12,15H,8-11,13-14H2,1H3,(H,32,33)
InChIKey
PTMYFHTUTMRQGI-UHFFFAOYSA-N
Compound name
2-[2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-2-methylpropoxy]ethyl]-1,3-dioxoisoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

480.15326 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.16054 210.5
[M+Na]+ 503.14248 216.6
[M-H]- 479.14598 215.4
[M+NH4]+ 498.18708 219.7
[M+K]+ 519.11642 213.1
[M+H-H2O]+ 463.15052 202.7
[M+HCOO]- 525.15146 224.8
[M+CH3COO]- 539.16711 237.5
[M+Na-2H]- 501.12793 205.4
[M]+ 480.15271 218.0
[M]- 480.15381 218.0
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.