CID 3087705

Brn 5674698

Structural Information

Molecular Formula
C28H32N2O6
SMILES
CC(C)OC1=CC=C(C=C1)C2CC(=O)N(C2=O)CCN3C(=O)CC(C3=O)C4=CC=C(C=C4)OC(C)C
InChI
InChI=1S/C28H32N2O6/c1-17(2)35-21-9-5-19(6-10-21)23-15-25(31)29(27(23)33)13-14-30-26(32)16-24(28(30)34)20-7-11-22(12-8-20)36-18(3)4/h5-12,17-18,23-24H,13-16H2,1-4H3
InChIKey
PLNKYRJDDSQFIL-UHFFFAOYSA-N
Compound name
1-[2-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]ethyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.22604 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.23332 217.4
[M+Na]+ 515.21526 222.1
[M-H]- 491.21876 227.9
[M+NH4]+ 510.25986 224.9
[M+K]+ 531.18920 218.3
[M+H-H2O]+ 475.22330 207.9
[M+HCOO]- 537.22424 232.4
[M+CH3COO]- 551.23989 243.1
[M+Na-2H]- 513.20071 206.8
[M]+ 492.22549 220.6
[M]- 492.22659 220.6
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.