CID 5468074

Nsc663782

Structural Information

Molecular Formula
C25H21NO4
SMILES
COC1=C(C=C(C=C1)/C=C\2/C(=O)C(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC
InChI
InChI=1S/C25H21NO4/c1-29-21-14-13-17(16-22(21)30-2)15-20-24(27)23(18-9-5-3-6-10-18)26(25(20)28)19-11-7-4-8-12-19/h3-16,23H,1-2H3/b20-15-
InChIKey
ASAGPBWLSSJBSS-HKWRFOASSA-N
Compound name
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1,5-diphenylpyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.14706 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.15434 196.6
[M+Na]+ 422.13628 204.5
[M-H]- 398.13978 208.5
[M+NH4]+ 417.18088 207.5
[M+K]+ 438.11022 198.3
[M+H-H2O]+ 382.14432 185.8
[M+HCOO]- 444.14526 217.5
[M+CH3COO]- 458.16091 222.5
[M+Na-2H]- 420.12173 194.4
[M]+ 399.14651 198.2
[M]- 399.14761 198.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.