CID 199083

3678-67-9

Structural Information

Molecular Formula
C16H18N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=CC=NC=C2
InChI
InChI=1S/C16H18N2O4/c1-20-13-8-12(9-14(21-2)15(13)22-3)16(19)18-10-11-4-6-17-7-5-11/h4-9H,10H2,1-3H3,(H,18,19)
InChIKey
ZYEHARXNNMRYAQ-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-(pyridin-4-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

302.12665 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13393 169.9
[M+Na]+ 325.11587 182.8
[M+NH4]+ 320.16047 176.1
[M+K]+ 341.08981 176.7
[M-H]- 301.11937 173.0
[M+Na-2H]- 323.10132 177.3
[M]+ 302.12610 172.5
[M]- 302.12720 172.5
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.