CID 135429395

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

Structural Information

Molecular Formula
C23H15N3O2
SMILES
C1=CC=C(C=C1)C2=C(N=CC=C2)C3=NOC(=N3)C4=C(C=CC5=CC=CC=C54)O
InChI
InChI=1S/C23H15N3O2/c27-19-13-12-16-9-4-5-10-17(16)20(19)23-25-22(26-28-23)21-18(11-6-14-24-21)15-7-2-1-3-8-15/h1-14,27H
InChIKey
VJWDBHAKOIBIIA-UHFFFAOYSA-N
Compound name
1-[3-(3-phenylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

365.11642 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.12370 187.0
[M+Na]+ 388.10564 197.5
[M-H]- 364.10914 197.1
[M+NH4]+ 383.15024 195.2
[M+K]+ 404.07958 190.4
[M+H-H2O]+ 348.11368 175.0
[M+HCOO]- 410.11462 206.1
[M+CH3COO]- 424.13027 197.3
[M+Na-2H]- 386.09109 192.4
[M]+ 365.11587 188.9
[M]- 365.11697 188.9
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