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]+ 232.09682 150.4
[M+Na]+ 254.07876 157.4
[M-H]- 230.08226 158.0
[M+NH4]+ 249.12336 168.3
[M+K]+ 270.05270 156.3
[M+H-H2O]+ 214.08680 143.4
[M+HCOO]- 276.08774 175.9
[M+CH3COO]- 290.10339 190.4
[M+Na-2H]- 252.06421 155.9
[M]+ 231.08899 153.1
[M]- 231.09009 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.