CID 44820241

Chembl567756

Structural Information

Molecular Formula
C18H16F3N5O2
SMILES
CC1=NON=C1C(=O)NC2CCCC3=C2C=NN3C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C18H16F3N5O2/c1-10-16(25-28-24-10)17(27)23-14-3-2-4-15-13(14)9-22-26(15)12-7-5-11(6-8-12)18(19,20)21/h5-9,14H,2-4H2,1H3,(H,23,27)
InChIKey
AARVWQDWIQFKJC-UHFFFAOYSA-N
Compound name
4-methyl-N-[1-[4-(trifluoromethyl)phenyl]-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

391.1256 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.13288 187.7
[M+Na]+ 414.11482 197.1
[M-H]- 390.11832 191.4
[M+NH4]+ 409.15942 196.5
[M+K]+ 430.08876 192.1
[M+H-H2O]+ 374.12286 175.4
[M+HCOO]- 436.12380 201.4
[M+CH3COO]- 450.13945 196.6
[M+Na-2H]- 412.10027 188.3
[M]+ 391.12505 186.1
[M]- 391.12615 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.