CID 3040460

52213-76-0

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CC(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC
InChI
InChI=1S/C19H20N2O2/c1-14(2)17-18(22)20(15-10-6-4-7-11-15)21(19(17)23-3)16-12-8-5-9-13-16/h4-14H,1-3H3
InChIKey
OILJWCNSFRFRGH-UHFFFAOYSA-N
Compound name
5-methoxy-1,2-diphenyl-4-propan-2-ylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15247 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 172.5
[M+Na]+ 331.14169 181.6
[M-H]- 307.14519 180.5
[M+NH4]+ 326.18629 186.4
[M+K]+ 347.11563 176.8
[M+H-H2O]+ 291.14973 162.8
[M+HCOO]- 353.15067 194.2
[M+CH3COO]- 367.16632 206.8
[M+Na-2H]- 329.12714 173.5
[M]+ 308.15192 175.5
[M]- 308.15302 175.5
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.