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]+ 395.175396 198.3
[M+Na]+ 417.157338 205.6
[M-H]- 393.160844 208.5
[M+NH4]+ 412.201943 207.7
[M+K]+ 433.131278 198.1
[M+H-H2O]+ 377.165380 186.4
[M+HCOO]- 439.166321 218.7
[M+CH3COO]- 453.181971 207.7
[M+Na-2H]- 415.142786 197.5
[M]+ 394.16757142 199.8
[M]- 394.16866858 199.8
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.