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 161.4
[M+Na]+ 302.07876 169.4
[M-H]- 278.08226 169.9
[M+NH4]+ 297.12336 176.4
[M+K]+ 318.05270 166.2
[M+H-H2O]+ 262.08680 153.1
[M+HCOO]- 324.08774 184.6
[M+CH3COO]- 338.10339 173.8
[M+Na-2H]- 300.06421 169.6
[M]+ 279.08899 163.1
[M]- 279.09009 163.1
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.