CID 13238737

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

Structural Information

Molecular Formula
C19H12ClFN4O
SMILES
CC(=O)C1=C(N2C(=C(C=N2)C3=CC=CC=C3)N=N1)C4=CC(=C(C=C4)F)Cl
InChI
InChI=1S/C19H12ClFN4O/c1-11(26)17-18(13-7-8-16(21)15(20)9-13)25-19(24-23-17)14(10-22-25)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
LTXBBOCEFUPRGC-UHFFFAOYSA-N
Compound name
1-[4-(3-chloro-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

366.06836 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.07564 183.5
[M+Na]+ 389.05758 201.8
[M+NH4]+ 384.10218 190.5
[M+K]+ 405.03152 194.5
[M-H]- 365.06108 187.2
[M+Na-2H]- 387.04303 193.3
[M]+ 366.06781 187.6
[M]- 366.06891 187.6
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.