CID 138505682

2305028-77-5

Structural Information

Molecular Formula
C17H10BrFN4O2
SMILES
C1=CC2=CC(=CC(=C2N=C1)Br)OC(C3=NC=C(C=C3)F)C4=NN=CO4
InChI
InChI=1S/C17H10BrFN4O2/c18-13-7-12(6-10-2-1-5-20-15(10)13)25-16(17-23-22-9-24-17)14-4-3-11(19)8-21-14/h1-9,16H
InChIKey
MFJSFNQWIJQIPQ-UHFFFAOYSA-N
Compound name
2-[(8-bromoquinolin-6-yl)oxy-(5-fluoropyridin-2-yl)methyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

399.99713 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.00441 181.4
[M+Na]+ 422.98635 194.7
[M-H]- 398.98985 189.6
[M+NH4]+ 418.03095 192.2
[M+K]+ 438.96029 183.4
[M+H-H2O]+ 382.99439 177.2
[M+HCOO]- 444.99533 197.8
[M+CH3COO]- 459.01098 193.7
[M+Na-2H]- 420.97180 188.2
[M]+ 399.99658 203.0
[M]- 399.99768 203.0
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

patents stripe