CID 2797044

Maybridge3_000330

Structural Information

Molecular Formula

C₁₈H₁₃NO₅

SMILES

C1C2=C(C=CC(=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O)OCO1

InChI

InChI=1S/C18H13NO5/c20-17(14-8-11-3-1-2-4-16(11)24-18(14)21)19-13-5-6-15-12(7-13)9-22-10-23-15/h1-8H,9-10H2,(H,19,20)

InChIKey

VGGAKTQFWFMBIX-UHFFFAOYSA-N

Compound name

N-(4H-1,3-benzodioxin-6-yl)-2-oxochromene-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 323.07938 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	324.086656	171.1
[M+Na]+	346.068598	178.8
[M-H]-	322.072104	181.5
[M+NH4]+	341.113203	182.3
[M+K]+	362.042538	178.7
[M+H-H2O]+	306.076640	162.0
[M+HCOO]-	368.077581	189.0
[M+CH3COO]-	382.093231	182.6
[M+Na-2H]-	344.054046	180.1
[M]+	323.07883142	173.5
[M]-	323.07992858	173.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.