CID 3071141

Brn 5672478

Structural Information

Molecular Formula
C30H36N2O6
SMILES
C1C(C(=O)NC1=O)C2=CC=C(C=C2)OCCCCCCCCCCOC3=CC=C(C=C3)C4CC(=O)NC4=O
InChI
InChI=1S/C30H36N2O6/c33-27-19-25(29(35)31-27)21-9-13-23(14-10-21)37-17-7-5-3-1-2-4-6-8-18-38-24-15-11-22(12-16-24)26-20-28(34)32-30(26)36/h9-16,25-26H,1-8,17-20H2,(H,31,33,35)(H,32,34,36)
InChIKey
KXXXNMOQLJTRBI-UHFFFAOYSA-N
Compound name
3-[4-[10-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]decoxy]phenyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.2573 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.26458 226.4
[M+Na]+ 543.24652 228.1
[M-H]- 519.25002 232.8
[M+NH4]+ 538.29112 230.8
[M+K]+ 559.22046 221.1
[M+H-H2O]+ 503.25456 215.6
[M+HCOO]- 565.25550 239.7
[M+CH3COO]- 579.27115 240.1
[M+Na-2H]- 541.23197 217.3
[M]+ 520.25675 226.8
[M]- 520.25785 226.8
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.