CID 52089

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

Structural Information

Molecular Formula
C16H21NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N(CC=C)CC=C
InChI
InChI=1S/C16H21NO4/c1-6-8-17(9-7-2)16(18)12-10-13(19-3)15(21-5)14(11-12)20-4/h6-7,10-11H,1-2,8-9H2,3-5H3
InChIKey
QWDULLNANXZPOE-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N,N-bis(prop-2-enyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.14706 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.154336 166.9
[M+Na]+ 314.136278 173.8
[M-H]- 290.139784 171.9
[M+NH4]+ 309.180883 183.2
[M+K]+ 330.110218 172.5
[M+H-H2O]+ 274.144320 159.6
[M+HCOO]- 336.145261 191.1
[M+CH3COO]- 350.160911 210.1
[M+Na-2H]- 312.121726 167.8
[M]+ 291.14651142 174.0
[M]- 291.14760858 174.0
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.