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 188.5
[M+Na]+ 409.07705 201.3
[M-H]- 385.08055 195.1
[M+NH4]+ 404.12165 198.9
[M+K]+ 425.05099 195.6
[M+H-H2O]+ 369.08509 176.1
[M+HCOO]- 431.08603 206.0
[M+CH3COO]- 445.10168 199.4
[M+Na-2H]- 407.06250 192.3
[M]+ 386.08728 191.2
[M]- 386.08838 191.2
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.