CID 506182

Genz-5537

Structural Information

Molecular Formula
C15H10F3N5O3
SMILES
COC1=CC(=C(C=C1)[N+](=O)[O-])C2=CN(N=C2)C3=NC=CC(=N3)C(F)(F)F
InChI
InChI=1S/C15H10F3N5O3/c1-26-10-2-3-12(23(24)25)11(6-10)9-7-20-22(8-9)14-19-5-4-13(21-14)15(16,17)18/h2-8H,1H3
InChIKey
PISGVPJLJZADHB-UHFFFAOYSA-N
Compound name
2-[4-(5-methoxy-2-nitrophenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.07358 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.08086 177.0
[M+Na]+ 388.06280 186.1
[M-H]- 364.06630 179.3
[M+NH4]+ 383.10740 184.7
[M+K]+ 404.03674 176.6
[M+H-H2O]+ 348.07084 168.1
[M+HCOO]- 410.07178 194.0
[M+CH3COO]- 424.08743 207.7
[M+Na-2H]- 386.04825 183.4
[M]+ 365.07303 174.0
[M]- 365.07413 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.