CID 1550135

Nsc632951

Structural Information

Molecular Formula
C20H13NO2
SMILES
C1=CC=C(C=C1)C2=N/C(=C/C3=CC=CC4=CC=CC=C43)/C(=O)O2
InChI
InChI=1S/C20H13NO2/c22-20-18(21-19(23-20)15-8-2-1-3-9-15)13-16-11-6-10-14-7-4-5-12-17(14)16/h1-13H/b18-13+
InChIKey
YYCXXTRMDFPLAF-QGOAFFKASA-N
Compound name
(4E)-4-(naphthalen-1-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

299.09464 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10192 169.1
[M+Na]+ 322.08386 178.2
[M-H]- 298.08736 179.4
[M+NH4]+ 317.12846 183.9
[M+K]+ 338.05780 172.8
[M+H-H2O]+ 282.09190 160.0
[M+HCOO]- 344.09284 190.4
[M+CH3COO]- 358.10849 181.2
[M+Na-2H]- 320.06931 173.6
[M]+ 299.09409 169.2
[M]- 299.09519 169.2
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