CID 16227251

956769-55-4

Structural Information

Molecular Formula
C15H10N2O3
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(O3)C=O)C=O
InChI
InChI=1S/C15H10N2O3/c18-9-11-8-17(12-4-2-1-3-5-12)16-15(11)14-7-6-13(10-19)20-14/h1-10H
InChIKey
CCOHCERQPKBHQX-UHFFFAOYSA-N
Compound name
3-(5-formylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.06915 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.076426 155.7
[M+Na]+ 289.058368 167.2
[M-H]- 265.061874 165.2
[M+NH4]+ 284.102973 171.8
[M+K]+ 305.032308 164.1
[M+H-H2O]+ 249.066410 147.6
[M+HCOO]- 311.067351 181.6
[M+CH3COO]- 325.083001 170.0
[M+Na-2H]- 287.043816 159.5
[M]+ 266.06860142 161.3
[M]- 266.06969858 161.3
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.