CID 214761

34164-16-4

Structural Information

Molecular Formula
C13H18ClNO3
SMILES
CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)Cl
InChI
InChI=1S/C13H18ClNO3/c1-9(14)13(16)15-7-6-10-4-5-11(17-2)12(8-10)18-3/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKey
MMWIZVNHBDQQKM-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

271.09753 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10481 160.4
[M+Na]+ 294.08675 167.6
[M-H]- 270.09025 164.0
[M+NH4]+ 289.13135 177.7
[M+K]+ 310.06069 164.7
[M+H-H2O]+ 254.09479 154.7
[M+HCOO]- 316.09573 179.1
[M+CH3COO]- 330.11138 200.6
[M+Na-2H]- 292.07220 162.5
[M]+ 271.09698 166.2
[M]- 271.09808 166.2
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.