CID 2392259

2-chloro-n-(3,4-dimethoxybenzyl)acetamide

Structural Information

Molecular Formula
C11H14ClNO3
SMILES
COC1=C(C=C(C=C1)CNC(=O)CCl)OC
InChI
InChI=1S/C11H14ClNO3/c1-15-9-4-3-8(5-10(9)16-2)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKey
CETPWRGZGWGPSV-UHFFFAOYSA-N
Compound name
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

243.06622 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07350 150.9
[M+Na]+ 266.05544 163.1
[M+NH4]+ 261.10004 158.4
[M+K]+ 282.02938 156.7
[M-H]- 242.05894 152.6
[M+Na-2H]- 264.04089 156.7
[M]+ 243.06567 153.2
[M]- 243.06677 153.2
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