CID 3007413

108664-42-2

Structural Information

Molecular Formula
C19H16N2O
SMILES
C=C(CN1C=CC=N1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H16N2O/c1-15(14-21-13-5-12-20-21)19(22)18-10-8-17(9-11-18)16-6-3-2-4-7-16/h2-13H,1,14H2
InChIKey
TZDGDIOSNUETMK-UHFFFAOYSA-N
Compound name
1-(4-phenylphenyl)-2-(pyrazol-1-ylmethyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.12625 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.13353 168.2
[M+Na]+ 311.11547 174.6
[M-H]- 287.11897 175.1
[M+NH4]+ 306.16007 181.8
[M+K]+ 327.08941 169.0
[M+H-H2O]+ 271.12351 158.1
[M+HCOO]- 333.12445 188.9
[M+CH3COO]- 347.14010 179.0
[M+Na-2H]- 309.10092 170.2
[M]+ 288.12570 167.3
[M]- 288.12680 167.3
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.