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 169.0
[M+Na]+ 325.11587 176.2
[M-H]- 301.11937 174.6
[M+NH4]+ 320.16047 182.4
[M+K]+ 341.08981 174.0
[M+H-H2O]+ 285.12391 159.7
[M+HCOO]- 347.12485 192.4
[M+CH3COO]- 361.14050 206.8
[M+Na-2H]- 323.10132 173.2
[M]+ 302.12610 174.0
[M]- 302.12720 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.