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]+ 437.17070 201.8
[M+Na]+ 459.15264 206.3
[M-H]- 435.15614 209.4
[M+NH4]+ 454.19724 209.8
[M+K]+ 475.12658 200.4
[M+H-H2O]+ 419.16068 192.1
[M+HCOO]- 481.16162 217.2
[M+CH3COO]- 495.17727 222.9
[M+Na-2H]- 457.13809 195.5
[M]+ 436.16287 200.4
[M]- 436.16397 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.