CID 205105

17364-40-8

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC=C(C=C1)C2=NN(C(=O)C2C=O)C3=CC=CC=C3
InChI
InChI=1S/C16H12N2O2/c19-11-14-15(12-7-3-1-4-8-12)17-18(16(14)20)13-9-5-2-6-10-13/h1-11,14H
InChIKey
USUWCDUGDZBZMJ-UHFFFAOYSA-N
Compound name
5-oxo-1,3-diphenyl-4H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

264.08987 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09715 158.9
[M+Na]+ 287.07909 168.1
[M-H]- 263.08259 166.6
[M+NH4]+ 282.12369 174.2
[M+K]+ 303.05303 163.0
[M+H-H2O]+ 247.08713 149.4
[M+HCOO]- 309.08807 181.5
[M+CH3COO]- 323.10372 171.4
[M+Na-2H]- 285.06454 162.3
[M]+ 264.08932 159.0
[M]- 264.09042 159.0
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.