CID 3071135

Brn 5658639

Structural Information

Molecular Formula
C24H24N2O6
SMILES
C1C(C(=O)NC1=O)C2=CC=C(C=C2)OCCCCOC3=CC=C(C=C3)C4CC(=O)NC4=O
InChI
InChI=1S/C24H24N2O6/c27-21-13-19(23(29)25-21)15-3-7-17(8-4-15)31-11-1-2-12-32-18-9-5-16(6-10-18)20-14-22(28)26-24(20)30/h3-10,19-20H,1-2,11-14H2,(H,25,27,29)(H,26,28,30)
InChIKey
JFRADCVGQVHAHW-UHFFFAOYSA-N
Compound name
3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.16342 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.170696 201.8
[M+Na]+ 459.152638 206.3
[M-H]- 435.156144 209.4
[M+NH4]+ 454.197243 209.8
[M+K]+ 475.126578 200.4
[M+H-H2O]+ 419.160680 192.1
[M+HCOO]- 481.161621 217.2
[M+CH3COO]- 495.177271 222.9
[M+Na-2H]- 457.138086 195.5
[M]+ 436.16287142 200.4
[M]- 436.16396858 200.4
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.