CID 70058

2-(1-naphthyl)-5-phenyloxazole

Structural Information

Molecular Formula
C19H13NO
SMILES
C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C19H13NO/c1-2-8-15(9-3-1)18-13-20-19(21-18)17-12-6-10-14-7-4-5-11-16(14)17/h1-13H
InChIKey
WWVFJJKBBZXWFV-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-5-phenyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1867
Patents

271.0997 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10698 160.7
[M+Na]+ 294.08892 170.9
[M-H]- 270.09242 171.4
[M+NH4]+ 289.13352 176.7
[M+K]+ 310.06286 165.8
[M+H-H2O]+ 254.09696 151.8
[M+HCOO]- 316.09790 184.6
[M+CH3COO]- 330.11355 174.0
[M+Na-2H]- 292.07437 168.5
[M]+ 271.09915 163.0
[M]- 271.10025 163.0
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

No patent data available for this compound.