CID 3146597

3-hydroxy-4-(5-methyl-2-furoyl)-5-(4-methylphenyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C23H20N2O4
SMILES
CC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=C(O4)C
InChI
InChI=1S/C23H20N2O4/c1-14-5-8-17(9-6-14)20-19(21(26)18-10-7-15(2)29-18)22(27)23(28)25(20)13-16-4-3-11-24-12-16/h3-12,20,27H,13H2,1-2H3
InChIKey
WGZLEZZPENIEJC-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1423 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14958 193.0
[M+Na]+ 411.13152 207.3
[M+NH4]+ 406.17612 198.7
[M+K]+ 427.10546 204.9
[M-H]- 387.13502 199.4
[M+Na-2H]- 409.11697 200.2
[M]+ 388.14175 196.8
[M]- 388.14285 196.8
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.