CID 3087706

Brn 5674773

Structural Information

Molecular Formula
C29H34N2O6
SMILES
CC(C)OC1=CC=C(C=C1)C2CC(=O)N(C2=O)CCCN3C(=O)CC(C3=O)C4=CC=C(C=C4)OC(C)C
InChI
InChI=1S/C29H34N2O6/c1-18(2)36-22-10-6-20(7-11-22)24-16-26(32)30(28(24)34)14-5-15-31-27(33)17-25(29(31)35)21-8-12-23(13-9-21)37-19(3)4/h6-13,18-19,24-25H,5,14-17H2,1-4H3
InChIKey
ZSTCYZPWOUFVIX-UHFFFAOYSA-N
Compound name
1-[3-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]propyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.2417 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.24898 221.7
[M+Na]+ 529.23092 225.9
[M-H]- 505.23442 232.0
[M+NH4]+ 524.27552 228.6
[M+K]+ 545.20486 221.9
[M+H-H2O]+ 489.23896 212.0
[M+HCOO]- 551.23990 236.3
[M+CH3COO]- 565.25555 245.9
[M+Na-2H]- 527.21637 210.6
[M]+ 506.24115 225.3
[M]- 506.24225 225.3
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.