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]+ 292.15434 166.9
[M+Na]+ 314.13628 173.8
[M-H]- 290.13978 171.9
[M+NH4]+ 309.18088 183.2
[M+K]+ 330.11022 172.5
[M+H-H2O]+ 274.14432 159.6
[M+HCOO]- 336.14526 191.1
[M+CH3COO]- 350.16091 210.1
[M+Na-2H]- 312.12173 167.8
[M]+ 291.14651 174.0
[M]- 291.14761 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.