CID 818150

3-(2-oxo-2h-chromen-3-yl)-1-phenyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C19H12N2O3
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4OC3=O)C=O
InChI
InChI=1S/C19H12N2O3/c22-12-14-11-21(15-7-2-1-3-8-15)20-18(14)16-10-13-6-4-5-9-17(13)24-19(16)23/h1-12H
InChIKey
RIRMCVUMCVWVMG-UHFFFAOYSA-N
Compound name
3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

316.08478 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.092056 171.6
[M+Na]+ 339.073998 183.8
[M-H]- 315.077504 181.8
[M+NH4]+ 334.118603 184.6
[M+K]+ 355.047938 178.6
[M+H-H2O]+ 299.082040 161.7
[M+HCOO]- 361.082981 194.7
[M+CH3COO]- 375.098631 184.5
[M+Na-2H]- 337.059446 177.7
[M]+ 316.08423142 176.5
[M]- 316.08532858 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.