CID 16226951

2-chloro-n-[1-(2,5-dimethoxyphenyl)ethyl]acetamide

Structural Information

Molecular Formula
C12H16ClNO3
SMILES
CC(C1=C(C=CC(=C1)OC)OC)NC(=O)CCl
InChI
InChI=1S/C12H16ClNO3/c1-8(14-12(15)7-13)10-6-9(16-2)4-5-11(10)17-3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKey
KJGIQORERUZKTM-UHFFFAOYSA-N
Compound name
2-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.08188 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.089156 155.7
[M+Na]+ 280.071098 163.3
[M-H]- 256.074604 159.4
[M+NH4]+ 275.115703 173.5
[M+K]+ 296.045038 160.6
[M+H-H2O]+ 240.079140 150.2
[M+HCOO]- 302.080081 174.7
[M+CH3COO]- 316.095731 197.6
[M+Na-2H]- 278.056546 158.3
[M]+ 257.08133142 161.1
[M]- 257.08242858 161.1
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

No patent data available for this compound.