CID 3055218

Brn 0834391

Structural Information

Molecular Formula
C19H20N2O3
SMILES
CC(=O)N1C(CC(=N1)C2=CC(=CC=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H20N2O3/c1-13(22)21-19(14-7-9-16(23-2)10-8-14)12-18(20-21)15-5-4-6-17(11-15)24-3/h4-11,19H,12H2,1-3H3
InChIKey
SQBAOAQMXWBPDL-UHFFFAOYSA-N
Compound name
1-[5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1474 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 177.5
[M+Na]+ 347.13662 191.7
[M+NH4]+ 342.18122 184.4
[M+K]+ 363.11056 186.6
[M-H]- 323.14012 181.8
[M+Na-2H]- 345.12207 185.6
[M]+ 324.14685 180.7
[M]- 324.14795 180.7
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.