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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.13902 195.8
[M+Na]+ 417.12096 205.1
[M-H]- 393.12446 207.9
[M+NH4]+ 412.16556 204.7
[M+K]+ 433.09490 198.7
[M+H-H2O]+ 377.12900 183.8
[M+HCOO]- 439.12994 214.8
[M+CH3COO]- 453.14559 205.9
[M+Na-2H]- 415.10641 197.8
[M]+ 394.13119 197.2
[M]- 394.13229 197.2
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.