CID 2788103

N-(3-bromophenyl)-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C16H16BrNO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC(=CC=C2)Br
InChI
InChI=1S/C16H16BrNO4/c1-20-13-7-10(8-14(21-2)15(13)22-3)16(19)18-12-6-4-5-11(17)9-12/h4-9H,1-3H3,(H,18,19)
InChIKey
VJDYVWVZWMHIGE-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

365.02628 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.03356 173.5
[M+Na]+ 388.01550 183.9
[M-H]- 364.01900 182.9
[M+NH4]+ 383.06010 189.6
[M+K]+ 403.98944 173.4
[M+H-H2O]+ 348.02354 171.0
[M+HCOO]- 410.02448 195.3
[M+CH3COO]- 424.04013 213.6
[M+Na-2H]- 386.00095 177.6
[M]+ 365.02573 196.5
[M]- 365.02683 196.5
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

No patent data available for this compound.