CID 2768133

691868-88-9

Structural Information

Molecular Formula
C14H5F6N5O
SMILES
C1=CC2=NC(=CN2C3=C1C(=CC(=N3)C(F)(F)F)C(F)(F)F)C4=NN=CO4
InChI
InChI=1S/C14H5F6N5O/c15-13(16,17)7-3-9(14(18,19)20)23-11-6(7)1-2-10-22-8(4-25(10)11)12-24-21-5-26-12/h1-5H
InChIKey
GRHYZVJEXKTJOS-UHFFFAOYSA-N
Compound name
2-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

15
Patents

373.03983 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.04711 178.9
[M+Na]+ 396.02905 194.8
[M-H]- 372.03255 177.1
[M+NH4]+ 391.07365 189.1
[M+K]+ 412.00299 188.2
[M+H-H2O]+ 356.03709 165.4
[M+HCOO]- 418.03803 189.9
[M+CH3COO]- 432.05368 188.9
[M+Na-2H]- 394.01450 183.7
[M]+ 373.03928 178.6
[M]- 373.04038 178.6
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

patents stripe