CID 1315236

7-methoxy-3-(1-phenyl-1h-pyrazol-4-yl)-2-(trifluoromethyl)-4h-chromen-4-one

Structural Information

Molecular Formula
C20H13F3N2O3
SMILES
COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CN(N=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H13F3N2O3/c1-27-14-7-8-15-16(9-14)28-19(20(21,22)23)17(18(15)26)12-10-24-25(11-12)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey
NIKFSQLFXPULQA-UHFFFAOYSA-N
Compound name
7-methoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

386.08783 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.09511 190.0
[M+Na]+ 409.07705 203.9
[M+NH4]+ 404.12165 194.7
[M+K]+ 425.05099 198.7
[M-H]- 385.08055 191.5
[M+Na-2H]- 407.06250 196.6
[M]+ 386.08728 192.4
[M]- 386.08838 192.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.