CID 15956849

5-(4-methoxyphenyl)-n-propyl-2-[3-(trifluoromethyl)-2-pyridyl]pyrazole-3-carboxamide

Structural Information

Molecular Formula
C20H19F3N4O2
SMILES
CCCNC(=O)C1=CC(=NN1C2=C(C=CC=N2)C(F)(F)F)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H19F3N4O2/c1-3-10-25-19(28)17-12-16(13-6-8-14(29-2)9-7-13)26-27(17)18-15(20(21,22)23)5-4-11-24-18/h4-9,11-12H,3,10H2,1-2H3,(H,25,28)
InChIKey
WBECDRSOGVVSTO-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-N-propyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

404.146 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.15328 194.3
[M+Na]+ 427.13522 202.5
[M-H]- 403.13872 197.0
[M+NH4]+ 422.17982 202.4
[M+K]+ 443.10916 196.3
[M+H-H2O]+ 387.14326 180.9
[M+HCOO]- 449.14420 210.4
[M+CH3COO]- 463.15985 224.5
[M+Na-2H]- 425.12067 194.6
[M]+ 404.14545 193.6
[M]- 404.14655 193.6
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

patents stripe