CID 300897

3,4-dichloro-n-(3,4-dimethoxyphenethyl)benzamide

Structural Information

Molecular Formula
C17H17Cl2NO3
SMILES
COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)Cl)Cl)OC
InChI
InChI=1S/C17H17Cl2NO3/c1-22-15-6-3-11(9-16(15)23-2)7-8-20-17(21)12-4-5-13(18)14(19)10-12/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKey
GKJNISOGLBCVDD-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

353.05856 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.065836 177.9
[M+Na]+ 376.047778 187.1
[M-H]- 352.051284 184.3
[M+NH4]+ 371.092383 192.5
[M+K]+ 392.021718 181.2
[M+H-H2O]+ 336.055820 171.6
[M+HCOO]- 398.056761 192.5
[M+CH3COO]- 412.072411 213.9
[M+Na-2H]- 374.033226 179.5
[M]+ 353.05801142 185.4
[M]- 353.05910858 185.4
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

patents stripe