CID 51948

N-(beta-trimethylammoniumethyl)-3,4,5-trimethoxybenzamide bromide

Structural Information

Molecular Formula
C15H25N2O4
SMILES
C[N+](C)(C)CCNC(=O)C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C15H24N2O4/c1-17(2,3)8-7-16-15(18)11-9-12(19-4)14(21-6)13(10-11)20-5/h9-10H,7-8H2,1-6H3/p+1
InChIKey
DBBDCWMOVBGSEU-UHFFFAOYSA-O
Compound name
trimethyl-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.18143 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18871 167.7
[M+Na]+ 320.17065 174.0
[M-H]- 296.17415 173.1
[M+NH4]+ 315.21525 183.7
[M+K]+ 336.14459 168.3
[M+H-H2O]+ 280.17869 163.5
[M+HCOO]- 342.17963 191.8
[M+CH3COO]- 356.19528 206.1
[M+Na-2H]- 318.15610 174.2
[M]+ 297.18088 173.3
[M]- 297.18198 173.3
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.