CID 506187

Genz-7466

Structural Information

Molecular Formula
C16H13F3N4O2
SMILES
COC1=C(C=C(C=C1)C2=CN(N=C2)C3=NC=CC(=N3)C(F)(F)F)OC
InChI
InChI=1S/C16H13F3N4O2/c1-24-12-4-3-10(7-13(12)25-2)11-8-21-23(9-11)15-20-6-5-14(22-15)16(17,18)19/h3-9H,1-2H3
InChIKey
WCNGVEAXVOFZAB-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.09906 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.10634 178.7
[M+Na]+ 373.08828 189.7
[M-H]- 349.09178 180.6
[M+NH4]+ 368.13288 188.1
[M+K]+ 389.06222 183.9
[M+H-H2O]+ 333.09632 165.3
[M+HCOO]- 395.09726 194.4
[M+CH3COO]- 409.11291 211.2
[M+Na-2H]- 371.07373 181.3
[M]+ 350.09851 179.2
[M]- 350.09961 179.2
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.