CID 3071138

Brn 5667697

Structural Information

Molecular Formula
C27H30N2O6
SMILES
C1C(C(=O)NC1=O)C2=CC=C(C=C2)OCCCCCCCOC3=CC=C(C=C3)C4CC(=O)NC4=O
InChI
InChI=1S/C27H30N2O6/c30-24-16-22(26(32)28-24)18-6-10-20(11-7-18)34-14-4-2-1-3-5-15-35-21-12-8-19(9-13-21)23-17-25(31)29-27(23)33/h6-13,22-23H,1-5,14-17H2,(H,28,30,32)(H,29,31,33)
InChIKey
CWUSQJVETOQIJN-UHFFFAOYSA-N
Compound name
3-[4-[7-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]heptoxy]phenyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.2104 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.21768 219.0
[M+Na]+ 501.19962 228.0
[M+NH4]+ 496.24422 221.9
[M+K]+ 517.17356 225.5
[M-H]- 477.20312 221.5
[M+Na-2H]- 499.18507 221.7
[M]+ 478.20985 220.4
[M]- 478.21095 220.4
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.