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

1
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

patents stripe