CID 135444724

158876-66-5

Structural Information

Molecular Formula
C24H18FN5O2
SMILES
C1CN(NC2=C(C(=NN21)C3=CC=C(C=C3)F)C4=CC=NC=C4)C(=O)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C24H18FN5O2/c25-19-8-6-17(7-9-19)21-20(16-10-12-26-13-11-16)23-28-30(15-14-29(23)27-21)24(32)22(31)18-4-2-1-3-5-18/h1-13,28H,14-15H2
InChIKey
LDBDQDCZGRCZED-UHFFFAOYSA-N
Compound name
1-[7-(4-fluorophenyl)-8-pyridin-4-yl-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazin-2-yl]-2-phenylethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

132
References

69
Patents

427.14444 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.15172 201.8
[M+Na]+ 450.13366 216.4
[M+NH4]+ 445.17826 206.5
[M+K]+ 466.10760 211.1
[M-H]- 426.13716 205.3
[M+Na-2H]- 448.11911 210.1
[M]+ 427.14389 204.7
[M]- 427.14499 204.7
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

patents stripe