CID 214762

Brn 2870763

Structural Information

Molecular Formula
C14H20ClNO3
SMILES
CCOC1=C(C=C(C=C1)CCNC(=O)CCCl)OC
InChI
InChI=1S/C14H20ClNO3/c1-3-19-12-5-4-11(10-13(12)18-2)7-9-16-14(17)6-8-15/h4-5,10H,3,6-9H2,1-2H3,(H,16,17)
InChIKey
IRAMIELJXCRWKQ-UHFFFAOYSA-N
Compound name
3-chloro-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11316 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12044 165.0
[M+Na]+ 308.10238 172.0
[M-H]- 284.10588 168.3
[M+NH4]+ 303.14698 181.8
[M+K]+ 324.07632 168.3
[M+H-H2O]+ 268.11042 158.9
[M+HCOO]- 330.11136 184.3
[M+CH3COO]- 344.12701 202.7
[M+Na-2H]- 306.08783 167.8
[M]+ 285.11261 171.8
[M]- 285.11371 171.8
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.