CID 135457304

Nsc659103

Structural Information

Molecular Formula
C20H13NO3
SMILES
C1=CC=C(C=C1)C2=NC(=C(O2)O)/C=C/3\C(=O)C=CC4=CC=CC=C43
InChI
InChI=1S/C20H13NO3/c22-18-11-10-13-6-4-5-9-15(13)16(18)12-17-20(23)24-19(21-17)14-7-2-1-3-8-14/h1-12,23H/b16-12-
InChIKey
KAJUXZNCBDAETK-VBKFSLOCSA-N
Compound name
(1Z)-1-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.08954 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.09682 172.5
[M+Na]+ 338.07876 181.9
[M-H]- 314.08226 181.9
[M+NH4]+ 333.12336 186.2
[M+K]+ 354.05270 176.4
[M+H-H2O]+ 298.08680 163.8
[M+HCOO]- 360.08774 192.5
[M+CH3COO]- 374.10339 184.2
[M+Na-2H]- 336.06421 176.1
[M]+ 315.08899 172.7
[M]- 315.09009 172.7
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.