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]+ 309.159746 172.5
[M+Na]+ 331.141688 181.6
[M-H]- 307.145194 180.5
[M+NH4]+ 326.186293 186.4
[M+K]+ 347.115628 176.8
[M+H-H2O]+ 291.149730 162.8
[M+HCOO]- 353.150671 194.2
[M+CH3COO]- 367.166321 206.8
[M+Na-2H]- 329.127136 173.5
[M]+ 308.15192142 175.5
[M]- 308.15301858 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.