CID 45050941

3-chloro-n-(2,6-diethylphenyl)-4-methoxybenzamide

Structural Information

Molecular Formula
C18H20ClNO2
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC(=C(C=C2)OC)Cl
InChI
InChI=1S/C18H20ClNO2/c1-4-12-7-6-8-13(5-2)17(12)20-18(21)14-9-10-16(22-3)15(19)11-14/h6-11H,4-5H2,1-3H3,(H,20,21)
InChIKey
BQFXQLKKTKFJSQ-UHFFFAOYSA-N
Compound name
3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.11826 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.125536 174.2
[M+Na]+ 340.107478 182.7
[M-H]- 316.110984 181.1
[M+NH4]+ 335.152083 189.8
[M+K]+ 356.081418 177.2
[M+H-H2O]+ 300.115520 167.1
[M+HCOO]- 362.116461 193.3
[M+CH3COO]- 376.132111 210.7
[M+Na-2H]- 338.092926 175.8
[M]+ 317.11771142 179.3
[M]- 317.11880858 179.3
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.