CID 3062189

2-chloro-n-((3-methoxy-2-propoxyphenyl)methyl)propanamide

Structural Information

Molecular Formula
C14H20ClNO3
SMILES
CCCOC1=C(C=CC=C1OC)CNC(=O)C(C)Cl
InChI
InChI=1S/C14H20ClNO3/c1-4-8-19-13-11(6-5-7-12(13)18-3)9-16-14(17)10(2)15/h5-7,10H,4,8-9H2,1-3H3,(H,16,17)
InChIKey
NZSWQRGVHCNHEX-UHFFFAOYSA-N
Compound name
2-chloro-N-[(3-methoxy-2-propoxyphenyl)methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11316 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12044 164.5
[M+Na]+ 308.10238 175.7
[M+NH4]+ 303.14698 171.4
[M+K]+ 324.07632 169.5
[M-H]- 284.10588 165.9
[M+Na-2H]- 306.08783 169.2
[M]+ 285.11261 166.6
[M]- 285.11371 166.6
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.