CID 6445186

Brn 0831097

Structural Information

Molecular Formula
C20H18N2O3
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)/C=C/C(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H18N2O3/c1-14-18(20(24)22(21-14)16-6-4-3-5-7-16)12-13-19(23)15-8-10-17(25-2)11-9-15/h3-13,21H,1-2H3/b13-12+
InChIKey
CSSWRVZVNSFPKJ-OUKQBFOZSA-N
Compound name
4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.13174 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13902 180.2
[M+Na]+ 357.12096 194.6
[M+NH4]+ 352.16556 186.0
[M+K]+ 373.09490 189.1
[M-H]- 333.12446 183.6
[M+Na-2H]- 355.10641 188.0
[M]+ 334.13119 183.1
[M]- 334.13229 183.1
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.