CID 9391680

N-{[4-(benzyloxy)-3-methoxyphenyl]methyl}-2-chloro-n-methylacetamide

Structural Information

Molecular Formula
C18H20ClNO3
SMILES
CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C(=O)CCl
InChI
InChI=1S/C18H20ClNO3/c1-20(18(21)11-19)12-15-8-9-16(17(10-15)22-2)23-13-14-6-4-3-5-7-14/h3-10H,11-13H2,1-2H3
InChIKey
IBMMFVIWPCLLFP-UHFFFAOYSA-N
Compound name
2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

333.11316 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12044 176.9
[M+Na]+ 356.10238 190.8
[M+NH4]+ 351.14698 184.7
[M+K]+ 372.07632 182.8
[M-H]- 332.10588 181.6
[M+Na-2H]- 354.08783 185.3
[M]+ 333.11261 180.5
[M]- 333.11371 180.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.