CID 3255740

3-hydroxy-5-phenyl-4-[4-(prop-2-en-1-yloxy)benzoyl]-1-[(pyridin-4-yl)methyl]-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C26H22N2O4
SMILES
C=CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CC=NC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C26H22N2O4/c1-2-16-32-21-10-8-20(9-11-21)24(29)22-23(19-6-4-3-5-7-19)28(26(31)25(22)30)17-18-12-14-27-15-13-18/h2-15,23,29H,1,16-17H2
InChIKey
HVNOPRSKVWVFGF-UHFFFAOYSA-N
Compound name
4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.15796 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.16524 203.9
[M+Na]+ 449.14718 209.7
[M-H]- 425.15068 212.5
[M+NH4]+ 444.19178 211.0
[M+K]+ 465.12112 202.3
[M+H-H2O]+ 409.15522 192.3
[M+HCOO]- 471.15616 220.7
[M+CH3COO]- 485.17181 224.8
[M+Na-2H]- 447.13263 200.4
[M]+ 426.15741 202.7
[M]- 426.15851 202.7
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.