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]+ 320.10481 172.9
[M+Na]+ 342.08675 187.3
[M+NH4]+ 337.13135 180.7
[M+K]+ 358.06069 179.1
[M-H]- 318.09025 177.4
[M+Na-2H]- 340.07220 181.1
[M]+ 319.09698 176.6
[M]- 319.09808 176.6
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.