CID 736962

N-benzyl-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C17H19NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C17H19NO4/c1-20-14-9-13(10-15(21-2)16(14)22-3)17(19)18-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,18,19)
InChIKey
IUHYGONSJUAHBM-UHFFFAOYSA-N
Compound name
N-benzyl-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

39
Patents

301.1314 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.138676 169.2
[M+Na]+ 324.120618 176.0
[M-H]- 300.124124 176.1
[M+NH4]+ 319.165223 184.0
[M+K]+ 340.094558 173.9
[M+H-H2O]+ 284.128660 160.7
[M+HCOO]- 346.129601 193.6
[M+CH3COO]- 360.145251 207.1
[M+Na-2H]- 322.106066 172.7
[M]+ 301.13085142 174.1
[M]- 301.13194858 174.1
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

patents stripe