CID 96847

38736-16-2

Structural Information

Molecular Formula
C19H14N2O2
SMILES
COC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C19H14N2O2/c1-22-15-11-9-14(10-12-15)18-20-21-19(23-18)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3
InChIKey
COEYQIOPXLXUKH-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.10553 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11281 169.1
[M+Na]+ 325.09475 180.0
[M-H]- 301.09825 178.8
[M+NH4]+ 320.13935 182.7
[M+K]+ 341.06869 175.3
[M+H-H2O]+ 285.10279 159.1
[M+HCOO]- 347.10373 191.7
[M+CH3COO]- 361.11938 181.8
[M+Na-2H]- 323.08020 176.0
[M]+ 302.10498 173.6
[M]- 302.10608 173.6
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