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]+ 317.09206 171.6
[M+Na]+ 339.07400 183.8
[M-H]- 315.07750 181.8
[M+NH4]+ 334.11860 184.6
[M+K]+ 355.04794 178.6
[M+H-H2O]+ 299.08204 161.7
[M+HCOO]- 361.08298 194.7
[M+CH3COO]- 375.09863 184.5
[M+Na-2H]- 337.05945 177.7
[M]+ 316.08423 176.5
[M]- 316.08533 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.