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 184.0
[M+Na]+ 389.05758 197.0
[M-H]- 365.06108 189.2
[M+NH4]+ 384.10218 194.5
[M+K]+ 405.03152 188.1
[M+H-H2O]+ 349.06562 171.6
[M+HCOO]- 411.06656 197.7
[M+CH3COO]- 425.08221 194.4
[M+Na-2H]- 387.04303 186.5
[M]+ 366.06781 188.2
[M]- 366.06891 188.2
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.