CID 24699798

2-chloro-n-(3,4,5-trimethoxyphenyl)propanamide

Structural Information

Molecular Formula
C12H16ClNO4
SMILES
CC(C(=O)NC1=CC(=C(C(=C1)OC)OC)OC)Cl
InChI
InChI=1S/C12H16ClNO4/c1-7(13)12(15)14-8-5-9(16-2)11(18-4)10(6-8)17-3/h5-7H,1-4H3,(H,14,15)
InChIKey
JCHCUMMWUNZOCI-UHFFFAOYSA-N
Compound name
2-chloro-N-(3,4,5-trimethoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.07678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08406 157.5
[M+Na]+ 296.06600 165.9
[M-H]- 272.06950 161.6
[M+NH4]+ 291.11060 174.9
[M+K]+ 312.03994 163.9
[M+H-H2O]+ 256.07404 152.1
[M+HCOO]- 318.07498 176.7
[M+CH3COO]- 332.09063 200.9
[M+Na-2H]- 294.05145 159.6
[M]+ 273.07623 164.8
[M]- 273.07733 164.8
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.