CID 54681647

Nsc663785

Structural Information

Molecular Formula
C27H26N2O3
SMILES
C1COCCN1C(C2=CC=CC=C2)C3=C(C(N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)O
InChI
InChI=1S/C27H26N2O3/c30-26-23(24(20-10-4-1-5-11-20)28-16-18-32-19-17-28)27(31)29(22-14-8-3-9-15-22)25(26)21-12-6-2-7-13-21/h1-15,24-25,30H,16-19H2
InChIKey
PNYYAMINXCXVFC-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[morpholin-4-yl(phenyl)methyl]-1,2-diphenyl-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.19434 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.20162 203.7
[M+Na]+ 449.18356 206.9
[M-H]- 425.18706 214.9
[M+NH4]+ 444.22816 208.6
[M+K]+ 465.15750 201.1
[M+H-H2O]+ 409.19160 191.1
[M+HCOO]- 471.19254 216.7
[M+CH3COO]- 485.20819 210.6
[M+Na-2H]- 447.16901 200.7
[M]+ 426.19379 198.2
[M]- 426.19489 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.