CID 203814

N-(2-chloroethyl)-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C12H16ClNO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NCCCl
InChI
InChI=1S/C12H16ClNO4/c1-16-9-6-8(12(15)14-5-4-13)7-10(17-2)11(9)18-3/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKey
SVYIGKZLHBKTKU-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.07678 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.084056 157.6
[M+Na]+ 296.065998 166.3
[M-H]- 272.069504 161.7
[M+NH4]+ 291.110603 175.1
[M+K]+ 312.039938 163.8
[M+H-H2O]+ 256.074040 152.1
[M+HCOO]- 318.074981 177.9
[M+CH3COO]- 332.090631 200.0
[M+Na-2H]- 294.051446 160.9
[M]+ 273.07623142 165.5
[M]- 273.07732858 165.5
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

patents stripe