CID 6242649

618071-69-5

Structural Information

Molecular Formula
C24H25N3O6
SMILES
C1COCCN1CCN2C(/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C2=O)C5=CN=CC=C5
InChI
InChI=1S/C24H25N3O6/c28-22(16-3-4-18-19(14-16)33-13-12-32-18)20-21(17-2-1-5-25-15-17)27(24(30)23(20)29)7-6-26-8-10-31-11-9-26/h1-5,14-15,21,28H,6-13H2/b22-20+
InChIKey
WLBGUAKQOCTLAD-LSDHQDQOSA-N
Compound name
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.17435 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.18163 207.6
[M+Na]+ 474.16357 219.3
[M+NH4]+ 469.20817 211.7
[M+K]+ 490.13751 216.7
[M-H]- 450.16707 215.3
[M+Na-2H]- 472.14902 209.9
[M]+ 451.17380 211.1
[M]- 451.17490 211.1
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.