CID 3073980

154185-84-9

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]+ 409.154676 200.2
[M+Na]+ 431.136618 208.7
[M-H]- 407.140124 212.3
[M+NH4]+ 426.181223 208.5
[M+K]+ 447.110558 202.7
[M+H-H2O]+ 391.144660 188.3
[M+HCOO]- 453.145601 217.9
[M+CH3COO]- 467.161251 209.8
[M+Na-2H]- 429.122066 200.7
[M]+ 408.14685142 201.3
[M]- 408.14794858 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.