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

No literature data available for this compound.

Patent stripe

patents stripe