CID 9890786

Ym-440

Structural Information

Molecular Formula
C22H20N4O8
SMILES
C1=CC(=CC=C1CN2C(=O)NC(=O)O2)OC/C=C\COC3=CC=C(C=C3)CN4C(=O)NC(=O)O4
InChI
InChI=1S/C22H20N4O8/c27-19-23-21(29)33-25(19)13-15-3-7-17(8-4-15)31-11-1-2-12-32-18-9-5-16(6-10-18)14-26-20(28)24-22(30)34-26/h1-10H,11-14H2,(H,23,27,29)(H,24,28,30)/b2-1-
InChIKey
LUACLLSCZRRTIH-UPHRSURJSA-N
Compound name
2-[[4-[(Z)-4-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]but-2-enoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

267
Patents

468.1281 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.13538 206.3
[M+Na]+ 491.11732 220.3
[M+NH4]+ 486.16192 207.1
[M+K]+ 507.09126 220.3
[M-H]- 467.12082 210.1
[M+Na-2H]- 489.10277 211.4
[M]+ 468.12755 209.0
[M]- 468.12865 209.0
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

patents stripe