CID 45051394

2-chloro-n-(2,4-dimethylphenyl)-3-methoxybenzamide

Structural Information

Molecular Formula
C16H16ClNO2
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)OC)Cl)C
InChI
InChI=1S/C16H16ClNO2/c1-10-7-8-13(11(2)9-10)18-16(19)12-5-4-6-14(20-3)15(12)17/h4-9H,1-3H3,(H,18,19)
InChIKey
BRFRZRIAKOXTIE-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,4-dimethylphenyl)-3-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.08694 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.094216 164.8
[M+Na]+ 312.076158 174.2
[M-H]- 288.079664 172.2
[M+NH4]+ 307.120763 181.6
[M+K]+ 328.050098 169.2
[M+H-H2O]+ 272.084200 158.2
[M+HCOO]- 334.085141 184.6
[M+CH3COO]- 348.100791 204.7
[M+Na-2H]- 310.061606 167.6
[M]+ 289.08639142 169.2
[M]- 289.08748858 169.2
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.