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]+ 267.07643 155.7
[M+Na]+ 289.05837 167.2
[M-H]- 265.06187 165.2
[M+NH4]+ 284.10297 171.8
[M+K]+ 305.03231 164.1
[M+H-H2O]+ 249.06641 147.6
[M+HCOO]- 311.06735 181.6
[M+CH3COO]- 325.08300 170.0
[M+Na-2H]- 287.04382 159.5
[M]+ 266.06860 161.3
[M]- 266.06970 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.