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]+ 274.084056 157.5
[M+Na]+ 296.065998 165.9
[M-H]- 272.069504 161.6
[M+NH4]+ 291.110603 174.9
[M+K]+ 312.039938 163.9
[M+H-H2O]+ 256.074040 152.1
[M+HCOO]- 318.074981 176.7
[M+CH3COO]- 332.090631 200.9
[M+Na-2H]- 294.051446 159.6
[M]+ 273.07623142 164.8
[M]- 273.07732858 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.