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]+ 274.08406 157.6
[M+Na]+ 296.06600 166.3
[M-H]- 272.06950 161.7
[M+NH4]+ 291.11060 175.1
[M+K]+ 312.03994 163.8
[M+H-H2O]+ 256.07404 152.1
[M+HCOO]- 318.07498 177.9
[M+CH3COO]- 332.09063 200.0
[M+Na-2H]- 294.05145 160.9
[M]+ 273.07623 165.5
[M]- 273.07733 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