CID 3087711

Brn 5683951

Structural Information

Molecular Formula
C35H46N2O6
SMILES
CC(C)OC1=CC=C(C=C1)C2CC(=O)N(C2=O)CCCCCCCCCN3C(=O)CC(C3=O)C4=CC=C(C=C4)OC(C)C
InChI
InChI=1S/C35H46N2O6/c1-24(2)42-28-16-12-26(13-17-28)30-22-32(38)36(34(30)40)20-10-8-6-5-7-9-11-21-37-33(39)23-31(35(37)41)27-14-18-29(19-15-27)43-25(3)4/h12-19,24-25,30-31H,5-11,20-23H2,1-4H3
InChIKey
GISGEGULOGRPTF-UHFFFAOYSA-N
Compound name
1-[9-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]nonyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.3356 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.34288 247.0
[M+Na]+ 613.32482 248.4
[M-H]- 589.32832 256.1
[M+NH4]+ 608.36942 250.3
[M+K]+ 629.29876 243.3
[M+H-H2O]+ 573.33286 236.2
[M+HCOO]- 635.33380 259.5
[M+CH3COO]- 649.34945 262.6
[M+Na-2H]- 611.31027 233.0
[M]+ 590.33505 252.3
[M]- 590.33615 252.3
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.