CID 803371

N-(2-furylmethyl)-2-methoxybenzamide

Structural Information

Molecular Formula
C13H13NO3
SMILES
COC1=CC=CC=C1C(=O)NCC2=CC=CO2
InChI
InChI=1S/C13H13NO3/c1-16-12-7-3-2-6-11(12)13(15)14-9-10-5-4-8-17-10/h2-8H,9H2,1H3,(H,14,15)
InChIKey
PQHWWRAXRWCRIG-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

231.08954 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.096816 150.4
[M+Na]+ 254.078758 157.4
[M-H]- 230.082264 158.0
[M+NH4]+ 249.123363 168.3
[M+K]+ 270.052698 156.3
[M+H-H2O]+ 214.086800 143.4
[M+HCOO]- 276.087741 175.9
[M+CH3COO]- 290.103391 190.4
[M+Na-2H]- 252.064206 155.9
[M]+ 231.08899142 153.1
[M]- 231.09008858 153.1
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.