CID 1721967

N-(5-chloro-2,4-dimethoxyphenyl)-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C18H20ClNO6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC(=C(C=C2OC)OC)Cl
InChI
InChI=1S/C18H20ClNO6/c1-22-13-9-14(23-2)12(8-11(13)19)20-18(21)10-6-15(24-3)17(26-5)16(7-10)25-4/h6-9H,1-5H3,(H,20,21)
InChIKey
JATKCRCTSBOUGH-UHFFFAOYSA-N
Compound name
N-(5-chloro-2,4-dimethoxyphenyl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.0979 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.10518 183.7
[M+Na]+ 404.08712 193.2
[M-H]- 380.09062 191.5
[M+NH4]+ 399.13172 196.9
[M+K]+ 420.06106 190.9
[M+H-H2O]+ 364.09516 176.2
[M+HCOO]- 426.09610 203.6
[M+CH3COO]- 440.11175 221.9
[M+Na-2H]- 402.07257 184.6
[M]+ 381.09735 195.4
[M]- 381.09845 195.4
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.