CID 43247

N-furfuryl-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C15H17NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=CC=CO2
InChI
InChI=1S/C15H17NO5/c1-18-12-7-10(8-13(19-2)14(12)20-3)15(17)16-9-11-5-4-6-21-11/h4-8H,9H2,1-3H3,(H,16,17)
InChIKey
PEUKYEPLCRXPHU-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

18
Patents

291.1107 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11798 164.8
[M+Na]+ 314.09992 172.4
[M-H]- 290.10342 172.9
[M+NH4]+ 309.14452 180.6
[M+K]+ 330.07386 172.2
[M+H-H2O]+ 274.10796 157.5
[M+HCOO]- 336.10890 190.0
[M+CH3COO]- 350.12455 203.2
[M+Na-2H]- 312.08537 168.1
[M]+ 291.11015 171.9
[M]- 291.11125 171.9
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

patents stripe