CID 95260

N,n-diethyl-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C14H21NO4
SMILES
CCN(CC)C(=O)C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C14H21NO4/c1-6-15(7-2)14(16)10-8-11(17-3)13(19-5)12(9-10)18-4/h8-9H,6-7H2,1-5H3
InChIKey
OGUSJMCQDBTOPV-UHFFFAOYSA-N
Compound name
N,N-diethyl-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

267.14706 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.154336 160.8
[M+Na]+ 290.136278 168.0
[M-H]- 266.139784 166.1
[M+NH4]+ 285.180883 178.3
[M+K]+ 306.110218 168.4
[M+H-H2O]+ 250.144320 153.7
[M+HCOO]- 312.145261 185.3
[M+CH3COO]- 326.160911 205.8
[M+Na-2H]- 288.121726 162.7
[M]+ 267.14651142 168.6
[M]- 267.14760858 168.6
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