CID 216671

37585-41-4

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CCCCOC1=CC(=O)N(N1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H20N2O2/c1-2-3-14-23-19-15-18(22)20(16-10-6-4-7-11-16)21(19)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3
InChIKey
UJNOIICZZTWLNC-UHFFFAOYSA-N
Compound name
5-butoxy-1,2-diphenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15247 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.159746 172.7
[M+Na]+ 331.141688 181.1
[M-H]- 307.145194 180.1
[M+NH4]+ 326.186293 186.3
[M+K]+ 347.115628 175.7
[M+H-H2O]+ 291.149730 162.4
[M+HCOO]- 353.150671 195.3
[M+CH3COO]- 367.166321 204.8
[M+Na-2H]- 329.127136 175.4
[M]+ 308.15192142 175.8
[M]- 308.15301858 175.8
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.