CID 26622

2-chloro-n-[2-(3,4-dimethoxy-phenyl)-ethyl]-acetamide

Structural Information

Molecular Formula
C12H16ClNO3
SMILES
COC1=C(C=C(C=C1)CCNC(=O)CCl)OC
InChI
InChI=1S/C12H16ClNO3/c1-16-10-4-3-9(7-11(10)17-2)5-6-14-12(15)8-13/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKey
WWBJEBQJHYKQHM-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

257.08188 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08916 155.7
[M+Na]+ 280.07110 163.6
[M-H]- 256.07460 159.3
[M+NH4]+ 275.11570 173.6
[M+K]+ 296.04504 160.4
[M+H-H2O]+ 240.07914 150.1
[M+HCOO]- 302.08008 175.7
[M+CH3COO]- 316.09573 196.7
[M+Na-2H]- 278.05655 159.5
[M]+ 257.08133 161.7
[M]- 257.08243 161.7
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

patents stripe