CID 5937209

(2e)-1-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenyl-1h-pyrazol-4-yl]prop-2-en-1-one

Structural Information

Molecular Formula
C26H22N2O2
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C26H22N2O2/c1-19-8-10-21(11-9-19)26-22(18-28(27-26)23-6-4-3-5-7-23)14-17-25(29)20-12-15-24(30-2)16-13-20/h3-18H,1-2H3/b17-14+
InChIKey
UPEYJJWZLLDMMN-SAPNQHFASA-N
Compound name
(E)-1-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.16812 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.17540 198.8
[M+Na]+ 417.15734 215.8
[M+NH4]+ 412.20194 205.9
[M+K]+ 433.13128 207.7
[M-H]- 393.16084 206.1
[M+Na-2H]- 415.14279 210.2
[M]+ 394.16757 203.5
[M]- 394.16867 203.5
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.