CID 3087708

Brn 5678310

Structural Information

Molecular Formula
C31H38N2O6
SMILES
CC(C)OC1=CC=C(C=C1)C2CC(=O)N(C2=O)CCCCCN3C(=O)CC(C3=O)C4=CC=C(C=C4)OC(C)C
InChI
InChI=1S/C31H38N2O6/c1-20(2)38-24-12-8-22(9-13-24)26-18-28(34)32(30(26)36)16-6-5-7-17-33-29(35)19-27(31(33)37)23-10-14-25(15-11-23)39-21(3)4/h8-15,20-21,26-27H,5-7,16-19H2,1-4H3
InChIKey
BGUPGLQTKIOLGM-UHFFFAOYSA-N
Compound name
1-[5-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]pentyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.273 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.28028 230.3
[M+Na]+ 557.26222 233.5
[M-H]- 533.26572 240.2
[M+NH4]+ 552.30682 235.9
[M+K]+ 573.23616 229.2
[M+H-H2O]+ 517.27026 220.2
[M+HCOO]- 579.27120 244.2
[M+CH3COO]- 593.28685 251.5
[M+Na-2H]- 555.24767 218.1
[M]+ 534.27245 234.4
[M]- 534.27355 234.4
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.