CID 3052201

F 1543

Structural Information

Molecular Formula

C₁₆H₁₈N₂O₃

SMILES

C1CCN(C1)CCNC(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C16H18N2O3/c19-15(17-7-10-18-8-3-4-9-18)13-11-12-5-1-2-6-14(12)21-16(13)20/h1-2,5-6,11H,3-4,7-10H2,(H,17,19)

InChIKey

WOZUEHJPNNIRDP-UHFFFAOYSA-N

Compound name

2-oxo-N-(2-pyrrolidin-1-ylethyl)chromene-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 286.13174 Da
Monoisotopic Mass: 2.5
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]+	287.139016	164.5
[M+Na]+	309.120958	170.6
[M-H]-	285.124464	171.0
[M+NH4]+	304.165563	179.6
[M+K]+	325.094898	167.9
[M+H-H2O]+	269.129000	156.3
[M+HCOO]-	331.129941	184.7
[M+CH3COO]-	345.145591	201.1
[M+Na-2H]-	307.106406	168.5
[M]+	286.13119142	164.3
[M]-	286.13228858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe