CID 300901

98841-62-4

Structural Information

Molecular Formula
C17H18ClNO3
SMILES
COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl)OC
InChI
InChI=1S/C17H18ClNO3/c1-21-15-8-3-12(11-16(15)22-2)9-10-19-17(20)13-4-6-14(18)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKey
XIALHRNGCMHQJS-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

319.09753 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.104806 172.6
[M+Na]+ 342.086748 180.5
[M-H]- 318.090254 179.4
[M+NH4]+ 337.131353 187.8
[M+K]+ 358.060688 175.8
[M+H-H2O]+ 302.094790 165.3
[M+HCOO]- 364.095731 192.3
[M+CH3COO]- 378.111381 208.6
[M+Na-2H]- 340.072196 175.6
[M]+ 319.09698142 178.4
[M]- 319.09807858 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.