CID 7275253

N-(3-bromophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide

Structural Information

Molecular Formula
C16H16BrNO3
SMILES
CC1=CC(=C(C=C1)OCC(=O)NC2=CC(=CC=C2)Br)OC
InChI
InChI=1S/C16H16BrNO3/c1-11-6-7-14(15(8-11)20-2)21-10-16(19)18-13-5-3-4-12(17)9-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKey
CHIXEQPHDULQEG-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.03137 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.03865 171.5
[M+Na]+ 372.02059 181.3
[M-H]- 348.02409 180.6
[M+NH4]+ 367.06519 188.1
[M+K]+ 387.99453 170.1
[M+H-H2O]+ 332.02863 169.2
[M+HCOO]- 394.02957 193.2
[M+CH3COO]- 408.04522 210.4
[M+Na-2H]- 370.00604 176.2
[M]+ 349.03082 192.8
[M]- 349.03192 192.8
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.