CID 47314

2-chloro-n-(2-methoxyethyl)-o-acetanisidide

Structural Information

Molecular Formula
C12H16ClNO3
SMILES
COCCN(C1=CC=CC=C1OC)C(=O)CCl
InChI
InChI=1S/C12H16ClNO3/c1-16-8-7-14(12(15)9-13)10-5-3-4-6-11(10)17-2/h3-6H,7-9H2,1-2H3
InChIKey
XNEKRGDCRGRGFD-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-methoxyethyl)-N-(2-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.08188 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.089156 155.9
[M+Na]+ 280.071098 163.0
[M-H]- 256.074604 160.7
[M+NH4]+ 275.115703 174.2
[M+K]+ 296.045038 161.2
[M+H-H2O]+ 240.079140 149.9
[M+HCOO]- 302.080081 176.4
[M+CH3COO]- 316.095731 198.9
[M+Na-2H]- 278.056546 159.7
[M]+ 257.08133142 162.9
[M]- 257.08242858 162.9
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.