CID 67763

Tricetamide

Structural Information

Molecular Formula
C16H24N2O5
SMILES
CCN(CC)C(=O)CNC(=O)C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C16H24N2O5/c1-6-18(7-2)14(19)10-17-16(20)11-8-12(21-3)15(23-5)13(9-11)22-4/h8-9H,6-7,10H2,1-5H3,(H,17,20)
InChIKey
NLRFFZRHTICQBO-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2561
Patents

324.16852 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.175796 176.1
[M+Na]+ 347.157738 181.4
[M-H]- 323.161244 181.0
[M+NH4]+ 342.202343 190.6
[M+K]+ 363.131678 182.0
[M+H-H2O]+ 307.165780 168.1
[M+HCOO]- 369.166721 200.3
[M+CH3COO]- 383.182371 218.5
[M+Na-2H]- 345.143186 176.1
[M]+ 324.16797142 183.8
[M]- 324.16906858 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe