CID 4560565

439947-70-3

Structural Information

Molecular Formula
C25H24N2O4
SMILES
CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)C(C)C)CC4=CN=CC=C4)O
InChI
InChI=1S/C25H24N2O4/c1-15(2)18-7-9-19(10-8-18)22-21(23(28)20-11-6-16(3)31-20)24(29)25(30)27(22)14-17-5-4-12-26-13-17/h4-13,15,22,29H,14H2,1-3H3
InChIKey
AJZXDOXTNCCPRQ-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.1736 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.18088 200.9
[M+Na]+ 439.16282 214.5
[M+NH4]+ 434.20742 206.2
[M+K]+ 455.13676 212.5
[M-H]- 415.16632 207.1
[M+Na-2H]- 437.14827 207.4
[M]+ 416.17305 204.5
[M]- 416.17415 204.5
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.