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]+ 303.133926 169.0
[M+Na]+ 325.115868 176.2
[M-H]- 301.119374 174.6
[M+NH4]+ 320.160473 182.4
[M+K]+ 341.089808 174.0
[M+H-H2O]+ 285.123910 159.7
[M+HCOO]- 347.124851 192.4
[M+CH3COO]- 361.140501 206.8
[M+Na-2H]- 323.101316 173.2
[M]+ 302.12610142 174.0
[M]- 302.12719858 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

literature stripe

Patent stripe

patents stripe