CID 1100826

N-(2,4-dimethoxyphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Structural Information

Molecular Formula
C22H17F3N4O3
SMILES
COC1=CC(=C(C=C1)NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=C4)C(F)(F)F)OC
InChI
InChI=1S/C22H17F3N4O3/c1-31-14-8-9-15(18(10-14)32-2)27-21(30)17-12-20-26-16(13-6-4-3-5-7-13)11-19(22(23,24)25)29(20)28-17/h3-12H,1-2H3,(H,27,30)
InChIKey
IIANGXYEOPULEB-UHFFFAOYSA-N
Compound name
N-(2,4-dimethoxyphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.12527 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.13255 203.5
[M+Na]+ 465.11449 213.6
[M-H]- 441.11799 207.8
[M+NH4]+ 460.15909 210.9
[M+K]+ 481.08843 207.0
[M+H-H2O]+ 425.12253 189.7
[M+HCOO]- 487.12347 219.9
[M+CH3COO]- 501.13912 231.2
[M+Na-2H]- 463.09994 206.0
[M]+ 442.12472 205.4
[M]- 442.12582 205.4
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.