CID 6478725

2-[(e)-3-[4-(5-hydroxyoxadiazolidin-3-yl)phenyl]-3-oxo-prop-1-enyl]-3-phenyl-quinazolin-4-one

Structural Information

Molecular Formula
C25H20N4O4
SMILES
C1C(ONN1C2=CC=C(C=C2)C(=O)/C=C/C3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5)O
InChI
InChI=1S/C25H20N4O4/c30-22(17-10-12-18(13-11-17)28-16-24(31)33-27-28)14-15-23-26-21-9-5-4-8-20(21)25(32)29(23)19-6-2-1-3-7-19/h1-15,24,27,31H,16H2/b15-14+
InChIKey
PVGDXVGFHAWBMR-CCEZHUSRSA-N
Compound name
2-[(E)-3-[4-(5-hydroxyoxadiazolidin-3-yl)phenyl]-3-oxoprop-1-enyl]-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

440.14847 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.15575 206.1
[M+Na]+ 463.13769 212.9
[M-H]- 439.14119 212.7
[M+NH4]+ 458.18229 208.6
[M+K]+ 479.11163 205.4
[M+H-H2O]+ 423.14573 193.3
[M+HCOO]- 485.14667 217.2
[M+CH3COO]- 499.16232 212.5
[M+Na-2H]- 461.12314 205.6
[M]+ 440.14792 203.7
[M]- 440.14902 203.7
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.