CID 44820403

Chembl567558

Structural Information

Molecular Formula
C17H16FN5O2
SMILES
CC1=NON=C1C(=O)NC2CCCC3=C2C=NN3C4=CC=C(C=C4)F
InChI
InChI=1S/C17H16FN5O2/c1-10-16(22-25-21-10)17(24)20-14-3-2-4-15-13(14)9-19-23(15)12-7-5-11(18)6-8-12/h5-9,14H,2-4H2,1H3,(H,20,24)
InChIKey
KYHSIOUGBBPCAG-UHFFFAOYSA-N
Compound name
N-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.1288 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13608 176.9
[M+Na]+ 364.11802 186.3
[M-H]- 340.12152 183.0
[M+NH4]+ 359.16262 187.7
[M+K]+ 380.09196 181.8
[M+H-H2O]+ 324.12606 165.8
[M+HCOO]- 386.12700 194.7
[M+CH3COO]- 400.14265 187.3
[M+Na-2H]- 362.10347 177.9
[M]+ 341.12825 177.6
[M]- 341.12935 177.6
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.