CID 3073980

1-acetyl-3-(4-oxo-2-phenyl-4h-1-benzopyran-6-yl)-5-phenyl-4,5-dihydro-1h-pyrazole

Structural Information

Molecular Formula
C26H20N2O3
SMILES
CC(=O)N1C(CC(=N1)C2=CC3=C(C=C2)OC(=CC3=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H20N2O3/c1-17(29)28-23(18-8-4-2-5-9-18)15-22(27-28)20-12-13-25-21(14-20)24(30)16-26(31-25)19-10-6-3-7-11-19/h2-14,16,23H,15H2,1H3
InChIKey
AZVDWIIWTGDKNJ-UHFFFAOYSA-N
Compound name
6-(2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.1474 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.15468 200.2
[M+Na]+ 431.13662 208.7
[M-H]- 407.14012 212.3
[M+NH4]+ 426.18122 208.5
[M+K]+ 447.11056 202.7
[M+H-H2O]+ 391.14466 188.3
[M+HCOO]- 453.14560 217.9
[M+CH3COO]- 467.16125 209.8
[M+Na-2H]- 429.12207 200.7
[M]+ 408.14685 201.3
[M]- 408.14795 201.3
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.