CID 135429383

1-(3-isoquinolin-1-yl-[1,2,4]oxadiazol-5-yl)-naphthalen-2-ol

Structural Information

Molecular Formula
C21H13N3O2
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3=NC(=NO3)C4=NC=CC5=CC=CC=C54)O
InChI
InChI=1S/C21H13N3O2/c25-17-10-9-13-5-1-3-7-15(13)18(17)21-23-20(24-26-21)19-16-8-4-2-6-14(16)11-12-22-19/h1-12,25H
InChIKey
GBVNLLQCAKKNLM-UHFFFAOYSA-N
Compound name
1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

339.10077 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.10805 179.2
[M+Na]+ 362.08999 190.7
[M-H]- 338.09349 187.3
[M+NH4]+ 357.13459 189.9
[M+K]+ 378.06393 183.9
[M+H-H2O]+ 322.09803 168.1
[M+HCOO]- 384.09897 197.6
[M+CH3COO]- 398.11462 190.2
[M+Na-2H]- 360.07544 186.3
[M]+ 339.10022 182.0
[M]- 339.10132 182.0
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