CID 3062193

2-chloro-n-((3-methoxy-2-(1-methylethoxy)phenyl)methyl)propanamide

Structural Information

Molecular Formula
C14H20ClNO3
SMILES
CC(C)OC1=C(C=CC=C1OC)CNC(=O)C(C)Cl
InChI
InChI=1S/C14H20ClNO3/c1-9(2)19-13-11(6-5-7-12(13)18-4)8-16-14(17)10(3)15/h5-7,9-10H,8H2,1-4H3,(H,16,17)
InChIKey
WOKQZVUEYNIDEF-UHFFFAOYSA-N
Compound name
2-chloro-N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11316 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.120436 164.8
[M+Na]+ 308.102378 171.3
[M-H]- 284.105884 168.3
[M+NH4]+ 303.146983 181.5
[M+K]+ 324.076318 168.7
[M+H-H2O]+ 268.110420 159.1
[M+HCOO]- 330.111361 182.2
[M+CH3COO]- 344.127011 204.5
[M+Na-2H]- 306.087826 165.2
[M]+ 285.11261142 170.4
[M]- 285.11370858 170.4
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.