CID 54592482

2-chloro-n-({3-[(2-ethoxyethoxy)methyl]phenyl}methyl)acetamide

Structural Information

Molecular Formula
C14H20ClNO3
SMILES
CCOCCOCC1=CC=CC(=C1)CNC(=O)CCl
InChI
InChI=1S/C14H20ClNO3/c1-2-18-6-7-19-11-13-5-3-4-12(8-13)10-16-14(17)9-15/h3-5,8H,2,6-7,9-11H2,1H3,(H,16,17)
InChIKey
OXXQLDQWIDRPGJ-UHFFFAOYSA-N
Compound name
2-chloro-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11316 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.120436 165.3
[M+Na]+ 308.102378 171.4
[M-H]- 284.105884 168.2
[M+NH4]+ 303.146983 181.7
[M+K]+ 324.076318 167.6
[M+H-H2O]+ 268.110420 158.9
[M+HCOO]- 330.111361 184.6
[M+CH3COO]- 344.127011 201.5
[M+Na-2H]- 306.087826 168.7
[M]+ 285.11261142 171.6
[M]- 285.11370858 171.6
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.