CID 126500407

2072109-00-1

Structural Information

Molecular Formula

C₁₈H₁₆N₂O₃

SMILES

CC1=C(C2=CC=CC=C2C=C1)NC(=O)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C18H16N2O3/c1-12-8-9-13-5-2-3-7-15(13)16(12)20-18(22)17(21)19-11-14-6-4-10-23-14/h2-10H,11H2,1H3,(H,19,21)(H,20,22)

InChIKey

IRODGGOKLWLTLV-UHFFFAOYSA-N

Compound name

N-(furan-2-ylmethyl)-N'-(2-methylnaphthalen-1-yl)oxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 308.1161 Da
Monoisotopic Mass: 3.0
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]+	309.123376	171.5
[M+Na]+	331.105318	178.7
[M-H]-	307.108824	180.4
[M+NH4]+	326.149923	187.0
[M+K]+	347.079258	175.8
[M+H-H2O]+	291.113360	163.6
[M+HCOO]-	353.114301	196.6
[M+CH3COO]-	367.129951	208.1
[M+Na-2H]-	329.090766	176.7
[M]+	308.11555142	174.3
[M]-	308.11664858	174.3

Literature stripe

literature stripe

Patent stripe

patents stripe