CID 16428372

4-[4-(allyloxy)benzoyl]-3-hydroxy-1-[3-(1h-imidazol-1-yl)propyl]-5-phenyl-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C26H25N3O4
SMILES
C=CCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CC=C4)/O
InChI
InChI=1S/C26H25N3O4/c1-2-17-33-21-11-9-20(10-12-21)24(30)22-23(19-7-4-3-5-8-19)29(26(32)25(22)31)15-6-14-28-16-13-27-18-28/h2-5,7-13,16,18,23,30H,1,6,14-15,17H2/b24-22-
InChIKey
SRHJQMSPAHQLST-GYHWCHFESA-N
Compound name
(4Z)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.1845 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.19178 207.7
[M+Na]+ 466.17372 213.1
[M-H]- 442.17722 215.6
[M+NH4]+ 461.21832 214.8
[M+K]+ 482.14766 206.1
[M+H-H2O]+ 426.18176 196.6
[M+HCOO]- 488.18270 224.2
[M+CH3COO]- 502.19835 227.2
[M+Na-2H]- 464.15917 201.5
[M]+ 443.18395 208.1
[M]- 443.18505 208.1
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.