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

5
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

literature stripe

Patent stripe

patents stripe