CID 13238733

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

Structural Information

Molecular Formula
C19H13FN4O
SMILES
CC(=O)C1=C(N2C(=C(C=N2)C3=CC=CC=C3)N=N1)C4=CC=C(C=C4)F
InChI
InChI=1S/C19H13FN4O/c1-12(25)17-18(14-7-9-15(20)10-8-14)24-19(23-22-17)16(11-21-24)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey
CQDCQZPWGWCUBU-UHFFFAOYSA-N
Compound name
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

332.10733 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11461 177.9
[M+Na]+ 355.09655 189.4
[M-H]- 331.10005 183.2
[M+NH4]+ 350.14115 188.7
[M+K]+ 371.07049 181.7
[M+H-H2O]+ 315.10459 165.5
[M+HCOO]- 377.10553 196.4
[M+CH3COO]- 391.12118 188.6
[M+Na-2H]- 353.08200 181.8
[M]+ 332.10678 179.5
[M]- 332.10788 179.5
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.