CID 2113306

2-chloro-n-(3,4,5-trimethoxyphenyl)acetamide

Structural Information

Molecular Formula
C11H14ClNO4
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)CCl
InChI
InChI=1S/C11H14ClNO4/c1-15-8-4-7(13-10(14)6-12)5-9(16-2)11(8)17-3/h4-5H,6H2,1-3H3,(H,13,14)
InChIKey
VSRMXUOEQLPQSY-UHFFFAOYSA-N
Compound name
2-chloro-N-(3,4,5-trimethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

259.06113 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06841 152.9
[M+Na]+ 282.05035 162.0
[M-H]- 258.05385 157.2
[M+NH4]+ 277.09495 171.0
[M+K]+ 298.02429 159.8
[M+H-H2O]+ 242.05839 147.6
[M+HCOO]- 304.05933 173.5
[M+CH3COO]- 318.07498 197.0
[M+Na-2H]- 280.03580 156.8
[M]+ 259.06058 160.5
[M]- 259.06168 160.5
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