CID 3073977

154185-80-5

Structural Information

Molecular Formula

C₂₅H₁₈N₂O₃

SMILES

C1C(N(N=C1C2=CC3=C(C=C2)OC(=CC3=O)C4=CC=CC=C4)C=O)C5=CC=CC=C5

InChI

InChI=1S/C25H18N2O3/c28-16-27-22(17-7-3-1-4-8-17)14-21(26-27)19-11-12-24-20(13-19)23(29)15-25(30-24)18-9-5-2-6-10-18/h1-13,15-16,22H,14H2

InChIKey

KCQKLKIYFMHMHO-UHFFFAOYSA-N

Compound name

5-(4-oxo-2-phenylchromen-6-yl)-3-phenyl-3,4-dihydropyrazole-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 394.13174 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	395.139016	195.8
[M+Na]+	417.120958	205.1
[M-H]-	393.124464	207.9
[M+NH4]+	412.165563	204.7
[M+K]+	433.094898	198.7
[M+H-H2O]+	377.129000	183.8
[M+HCOO]-	439.129941	214.8
[M+CH3COO]-	453.145591	205.9
[M+Na-2H]-	415.106406	197.8
[M]+	394.13119142	197.2
[M]-	394.13228858	197.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.