CID 3087710

Brn 5681511

Structural Information

Molecular Formula
C33H42N2O6
SMILES
CC(C)OC1=CC=C(C=C1)C2CC(=O)N(C2=O)CCCCCCCN3C(=O)CC(C3=O)C4=CC=C(C=C4)OC(C)C
InChI
InChI=1S/C33H42N2O6/c1-22(2)40-26-14-10-24(11-15-26)28-20-30(36)34(32(28)38)18-8-6-5-7-9-19-35-31(37)21-29(33(35)39)25-12-16-27(17-13-25)41-23(3)4/h10-17,22-23,28-29H,5-9,18-21H2,1-4H3
InChIKey
FYTSDGDSBAQTAV-UHFFFAOYSA-N
Compound name
1-[7-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]heptyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.30426 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.31154 238.7
[M+Na]+ 585.29348 241.0
[M-H]- 561.29698 248.2
[M+NH4]+ 580.33808 243.1
[M+K]+ 601.26742 236.3
[M+H-H2O]+ 545.30152 228.2
[M+HCOO]- 607.30246 251.9
[M+CH3COO]- 621.31811 257.1
[M+Na-2H]- 583.27893 225.6
[M]+ 562.30371 243.4
[M]- 562.30481 243.4
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.