CID 3055217

1-acetyl-3,5-bis(3-methoxyphenyl)-4,5-dihydro-1h-pyrazole

Structural Information

Molecular Formula
C19H20N2O3
SMILES
CC(=O)N1C(CC(=N1)C2=CC(=CC=C2)OC)C3=CC(=CC=C3)OC
InChI
InChI=1S/C19H20N2O3/c1-13(22)21-19(15-7-5-9-17(11-15)24-3)12-18(20-21)14-6-4-8-16(10-14)23-2/h4-11,19H,12H2,1-3H3
InChIKey
AHPARIWRZMCMAU-UHFFFAOYSA-N
Compound name
1-[3,5-bis(3-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 176.6
[M+Na]+ 347.13662 184.5
[M-H]- 323.14012 184.3
[M+NH4]+ 342.18122 189.7
[M+K]+ 363.11056 180.6
[M+H-H2O]+ 307.14466 166.7
[M+HCOO]- 369.14560 197.1
[M+CH3COO]- 383.16125 208.5
[M+Na-2H]- 345.12207 176.7
[M]+ 324.14685 179.5
[M]- 324.14795 179.5
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.