CID 6245776

487026-45-9

Structural Information

Molecular Formula
C37H30N2O5
SMILES
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC(=CC=C5)OC6=CC=CC=C6)/O
InChI
InChI=1S/C37H30N2O5/c1-25-20-30(43-24-26-10-4-2-5-11-26)17-18-32(25)35(40)33-34(39(37(42)36(33)41)23-27-12-9-19-38-22-27)28-13-8-16-31(21-28)44-29-14-6-3-7-15-29/h2-22,34,40H,23-24H2,1H3/b35-33+
InChIKey
RGNXJKWPSKQRDJ-LAPDZXRHSA-N
Compound name
(4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-(3-phenoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.21545 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.22273 244.0
[M+Na]+ 605.20467 247.3
[M-H]- 581.20817 257.7
[M+NH4]+ 600.24927 243.1
[M+K]+ 621.17861 239.6
[M+H-H2O]+ 565.21271 228.5
[M+HCOO]- 627.21365 258.1
[M+CH3COO]- 641.22930 248.4
[M+Na-2H]- 603.19012 237.7
[M]+ 582.21490 242.8
[M]- 582.21600 242.8
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.