CID 3073981

154185-85-0

Structural Information

Molecular Formula
C28H24N2O5
SMILES
CC(=O)N1C(CC(=N1)C2=CC3=C(C=C2)OC(=CC3=O)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI
InChI=1S/C28H24N2O5/c1-17(31)30-25(18-4-9-21(33-2)10-5-18)15-24(29-30)20-8-13-27-23(14-20)26(32)16-28(35-27)19-6-11-22(34-3)12-7-19/h4-14,16,25H,15H2,1-3H3
InChIKey
VWDVTDKMXARLMB-UHFFFAOYSA-N
Compound name
6-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.16852 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.17580 215.6
[M+Na]+ 491.15774 224.1
[M-H]- 467.16124 228.1
[M+NH4]+ 486.20234 221.6
[M+K]+ 507.13168 219.7
[M+H-H2O]+ 451.16578 203.3
[M+HCOO]- 513.16672 232.6
[M+CH3COO]- 527.18237 224.4
[M+Na-2H]- 489.14319 213.9
[M]+ 468.16797 220.8
[M]- 468.16907 220.8
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.