CID 135429375

4-fluoro-2-(3-isoquinolin-1-yl-[1,2,4]oxadiazol-5-yl)-phenol

Structural Information

Molecular Formula
C17H10FN3O2
SMILES
C1=CC=C2C(=C1)C=CN=C2C3=NOC(=N3)C4=C(C=CC(=C4)F)O
InChI
InChI=1S/C17H10FN3O2/c18-11-5-6-14(22)13(9-11)17-20-16(21-23-17)15-12-4-2-1-3-10(12)7-8-19-15/h1-9,22H
InChIKey
MVCUKFSNEXHXRA-UHFFFAOYSA-N
Compound name
4-fluoro-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

307.0757 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08298 168.3
[M+Na]+ 330.06492 180.6
[M-H]- 306.06842 174.6
[M+NH4]+ 325.10952 179.8
[M+K]+ 346.03886 174.6
[M+H-H2O]+ 290.07296 157.3
[M+HCOO]- 352.07390 187.6
[M+CH3COO]- 366.08955 180.1
[M+Na-2H]- 328.05037 174.4
[M]+ 307.07515 170.4
[M]- 307.07625 170.4
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