CID 3055364

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

Structural Information

Molecular Formula
C24H14F2N4O
SMILES
C1=CC=C(C=C1)C2=C3N=NC(=C(N3N=C2)C4=CC=C(C=C4)F)C(=O)C5=CC=C(C=C5)F
InChI
InChI=1S/C24H14F2N4O/c25-18-10-6-16(7-11-18)22-21(23(31)17-8-12-19(26)13-9-17)28-29-24-20(14-27-30(22)24)15-4-2-1-3-5-15/h1-14H
InChIKey
PXVJXFAZAVLTNO-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-[4-(4-fluorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.11356 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.12084 199.2
[M+Na]+ 435.10278 210.3
[M-H]- 411.10628 206.0
[M+NH4]+ 430.14738 205.9
[M+K]+ 451.07672 200.4
[M+H-H2O]+ 395.11082 184.0
[M+HCOO]- 457.11176 215.5
[M+CH3COO]- 471.12741 207.8
[M+Na-2H]- 433.08823 201.0
[M]+ 412.11301 199.0
[M]- 412.11411 199.0
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.