CID 120587

2h-1-benzopyran-3-carboxamide, 2-oxo-n-(phenylmethyl)-

Structural Information

Molecular Formula
C17H13NO3
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3OC2=O
InChI
InChI=1S/C17H13NO3/c19-16(18-11-12-6-2-1-3-7-12)14-10-13-8-4-5-9-15(13)21-17(14)20/h1-10H,11H2,(H,18,19)
InChIKey
BEUWFLKNYNXOJA-UHFFFAOYSA-N
Compound name
N-benzyl-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

279.08954 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09682 162.0
[M+Na]+ 302.07876 177.6
[M+NH4]+ 297.12336 170.5
[M+K]+ 318.05270 169.7
[M-H]- 278.08226 168.8
[M+Na-2H]- 300.06421 171.2
[M]+ 279.08899 166.3
[M]- 279.09009 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.