CID 3087709

Brn 5678863

Structural Information

Molecular Formula
C32H40N2O6
SMILES
CC(C)OC1=CC=C(C=C1)C2CC(=O)N(C2=O)CCCCCCN3C(=O)CC(C3=O)C4=CC=C(C=C4)OC(C)C
InChI
InChI=1S/C32H40N2O6/c1-21(2)39-25-13-9-23(10-14-25)27-19-29(35)33(31(27)37)17-7-5-6-8-18-34-30(36)20-28(32(34)38)24-11-15-26(16-12-24)40-22(3)4/h9-16,21-22,27-28H,5-8,17-20H2,1-4H3
InChIKey
RHCWJASAGFPHLO-UHFFFAOYSA-N
Compound name
1-[6-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]hexyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.28864 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.29592 234.5
[M+Na]+ 571.27786 237.3
[M-H]- 547.28136 244.2
[M+NH4]+ 566.32246 239.5
[M+K]+ 587.25180 232.7
[M+H-H2O]+ 531.28590 224.2
[M+HCOO]- 593.28684 248.0
[M+CH3COO]- 607.30249 254.3
[M+Na-2H]- 569.26331 221.9
[M]+ 548.28809 238.9
[M]- 548.28919 238.9
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.