CID 3087707

Brn 5676328

Structural Information

Molecular Formula
C30H36N2O6
SMILES
CC(C)OC1=CC=C(C=C1)C2CC(=O)N(C2=O)CCCCN3C(=O)CC(C3=O)C4=CC=C(C=C4)OC(C)C
InChI
InChI=1S/C30H36N2O6/c1-19(2)37-23-11-7-21(8-12-23)25-17-27(33)31(29(25)35)15-5-6-16-32-28(34)18-26(30(32)36)22-9-13-24(14-10-22)38-20(3)4/h7-14,19-20,25-26H,5-6,15-18H2,1-4H3
InChIKey
YZCCVWIPTCYSGU-UHFFFAOYSA-N
Compound name
1-[4-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]butyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.2573 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.26458 226.0
[M+Na]+ 543.24652 229.7
[M-H]- 519.25002 236.1
[M+NH4]+ 538.29112 232.2
[M+K]+ 559.22046 225.6
[M+H-H2O]+ 503.25456 216.1
[M+HCOO]- 565.25550 240.3
[M+CH3COO]- 579.27115 248.7
[M+Na-2H]- 541.23197 214.4
[M]+ 520.25675 229.8
[M]- 520.25785 229.8
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.