CID 902886

N-(2,6-dimethylphenyl)-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C18H21NO4
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C18H21NO4/c1-11-7-6-8-12(2)16(11)19-18(20)13-9-14(21-3)17(23-5)15(10-13)22-4/h6-10H,1-5H3,(H,19,20)
InChIKey
AUXMHPFDZWXPIF-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.14706 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15434 173.2
[M+Na]+ 338.13628 181.4
[M-H]- 314.13978 180.7
[M+NH4]+ 333.18088 188.0
[M+K]+ 354.11022 179.2
[M+H-H2O]+ 298.14432 165.0
[M+HCOO]- 360.14526 197.2
[M+CH3COO]- 374.16091 212.6
[M+Na-2H]- 336.12173 174.8
[M]+ 315.14651 179.2
[M]- 315.14761 179.2
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.