CID 3087703

Brn 5663224

Structural Information

Molecular Formula
C26H28N2O6
SMILES
CC(C)OC1=CC=C(C=C1)C2CC(=O)N(C2=O)N3C(=O)CC(C3=O)C4=CC=C(C=C4)OC(C)C
InChI
InChI=1S/C26H28N2O6/c1-15(2)33-19-9-5-17(6-10-19)21-13-23(29)27(25(21)31)28-24(30)14-22(26(28)32)18-7-11-20(12-8-18)34-16(3)4/h5-12,15-16,21-22H,13-14H2,1-4H3
InChIKey
SLZWKAHYYLSAIG-UHFFFAOYSA-N
Compound name
1-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.19473 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.20201 208.7
[M+Na]+ 487.18395 214.4
[M-H]- 463.18745 219.7
[M+NH4]+ 482.22855 217.4
[M+K]+ 503.15789 210.9
[M+H-H2O]+ 447.19199 199.6
[M+HCOO]- 509.19293 224.4
[M+CH3COO]- 523.20858 237.4
[M+Na-2H]- 485.16940 199.1
[M]+ 464.19418 211.4
[M]- 464.19528 211.4
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.