CID 15956846

N-ethyl-5-(4-methoxyphenyl)-2-[3-(trifluoromethyl)-2-pyridyl]pyrazole-3-carboxamide

Structural Information

Molecular Formula
C19H17F3N4O2
SMILES
CCNC(=O)C1=CC(=NN1C2=C(C=CC=N2)C(F)(F)F)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H17F3N4O2/c1-3-23-18(27)16-11-15(12-6-8-13(28-2)9-7-12)25-26(16)17-14(19(20,21)22)5-4-10-24-17/h4-11H,3H2,1-2H3,(H,23,27)
InChIKey
VFCAHOZLHRPEHO-UHFFFAOYSA-N
Compound name
N-ethyl-5-(4-methoxyphenyl)-2-[3-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.13037 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.13765 189.8
[M+Na]+ 413.11959 198.5
[M-H]- 389.12309 192.7
[M+NH4]+ 408.16419 198.6
[M+K]+ 429.09353 192.5
[M+H-H2O]+ 373.12763 176.7
[M+HCOO]- 435.12857 206.3
[M+CH3COO]- 449.14422 221.6
[M+Na-2H]- 411.10504 190.7
[M]+ 390.12982 188.9
[M]- 390.13092 188.9
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.