CID 341865

2,2-bis-(phthalimidomethyl)-1,3-propanediol diacetate

Structural Information

Molecular Formula
C25H22N2O8
SMILES
CC(=O)OCC(CN1C(=O)C2=CC=CC=C2C1=O)(CN3C(=O)C4=CC=CC=C4C3=O)COC(=O)C
InChI
InChI=1S/C25H22N2O8/c1-15(28)34-13-25(14-35-16(2)29,11-26-21(30)17-7-3-4-8-18(17)22(26)31)12-27-23(32)19-9-5-6-10-20(19)24(27)33/h3-10H,11-14H2,1-2H3
InChIKey
XMVDRTLPWWRNNW-UHFFFAOYSA-N
Compound name
[2-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]propyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

478.1376 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.14488 210.5
[M+Na]+ 501.12682 216.9
[M-H]- 477.13032 216.8
[M+NH4]+ 496.17142 220.4
[M+K]+ 517.10076 214.3
[M+H-H2O]+ 461.13486 203.3
[M+HCOO]- 523.13580 225.0
[M+CH3COO]- 537.15145 236.7
[M+Na-2H]- 499.11227 208.0
[M]+ 478.13705 218.1
[M]- 478.13815 218.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.