CID 49775749

4-methyl-n-[1-[6-(trifluoromethyl)-3-pyridyl]-4,5,6,7-tetrahydroindazol-4-yl]-1,2,5-oxadiazole-3-carboxamide

Structural Information

Molecular Formula
C17H15F3N6O2
SMILES
CC1=NON=C1C(=O)NC2CCCC3=C2C=NN3C4=CN=C(C=C4)C(F)(F)F
InChI
InChI=1S/C17H15F3N6O2/c1-9-15(25-28-24-9)16(27)23-12-3-2-4-13-11(12)8-22-26(13)10-5-6-14(21-7-10)17(18,19)20/h5-8,12H,2-4H2,1H3,(H,23,27)
InChIKey
HOGZWGYCIOWDQD-UHFFFAOYSA-N
Compound name
4-methyl-N-[1-[6-(trifluoromethyl)pyridin-3-yl]-4,5,6,7-tetrahydroindazol-4-yl]-1,2,5-oxadiazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.12085 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.12813 187.5
[M+Na]+ 415.11007 197.3
[M-H]- 391.11357 190.2
[M+NH4]+ 410.15467 194.9
[M+K]+ 431.08401 192.2
[M+H-H2O]+ 375.11811 174.7
[M+HCOO]- 437.11905 200.2
[M+CH3COO]- 451.13470 196.1
[M+Na-2H]- 413.09552 188.4
[M]+ 392.12030 186.1
[M]- 392.12140 186.1
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.