CID 3055362

Ethanone, 1-(4-(4-fluorophenyl)-8-phenylpyrazolo(5,1-c)(1,2,4)triazin-3-yl)-2,2,2-trifluoro-

Structural Information

Molecular Formula
C19H10F4N4O
SMILES
C1=CC=C(C=C1)C2=C3N=NC(=C(N3N=C2)C4=CC=C(C=C4)F)C(=O)C(F)(F)F
InChI
InChI=1S/C19H10F4N4O/c20-13-8-6-12(7-9-13)16-15(17(28)19(21,22)23)25-26-18-14(10-24-27(16)18)11-4-2-1-3-5-11/h1-10H
InChIKey
VSRKQZZVOMXMIH-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-[4-(4-fluorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.07907 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.08635 188.0
[M+Na]+ 409.06829 200.0
[M-H]- 385.07179 189.7
[M+NH4]+ 404.11289 196.5
[M+K]+ 425.04223 191.4
[M+H-H2O]+ 369.07633 173.3
[M+HCOO]- 431.07727 201.5
[M+CH3COO]- 445.09292 196.9
[M+Na-2H]- 407.05374 190.9
[M]+ 386.07852 186.0
[M]- 386.07962 186.0
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.