CID 135429339

814257-92-6

Structural Information

Molecular Formula
C18H12N2O2
SMILES
C1=CC=C(C=C1)C2=NOC(=N2)C3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C18H12N2O2/c21-15-11-10-12-6-4-5-9-14(12)16(15)18-19-17(20-22-18)13-7-2-1-3-8-13/h1-11,21H
InChIKey
MPMLOFLOMQPIJD-UHFFFAOYSA-N
Compound name
1-(3-phenyl-1,2,4-oxadiazol-5-yl)naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

288.08987 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09715 164.3
[M+Na]+ 311.07909 175.2
[M-H]- 287.08259 172.9
[M+NH4]+ 306.12369 177.8
[M+K]+ 327.05303 169.9
[M+H-H2O]+ 271.08713 154.9
[M+HCOO]- 333.08807 185.8
[M+CH3COO]- 347.10372 176.8
[M+Na-2H]- 309.06454 171.5
[M]+ 288.08932 166.8
[M]- 288.09042 166.8
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