CID 104191515

3-bromo-n-[(2,4-dimethoxyphenyl)methyl]propanamide

Structural Information

Molecular Formula
C12H16BrNO3
SMILES
COC1=CC(=C(C=C1)CNC(=O)CCBr)OC
InChI
InChI=1S/C12H16BrNO3/c1-16-10-4-3-9(11(7-10)17-2)8-14-12(15)5-6-13/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKey
ZJSRKXXWAINJSU-UHFFFAOYSA-N
Compound name
3-bromo-N-[(2,4-dimethoxyphenyl)methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.03137 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.03865 159.3
[M+Na]+ 324.02059 169.1
[M-H]- 300.02409 165.2
[M+NH4]+ 319.06519 178.0
[M+K]+ 339.99453 158.4
[M+H-H2O]+ 284.02863 157.7
[M+HCOO]- 346.02957 180.9
[M+CH3COO]- 360.04522 202.1
[M+Na-2H]- 322.00604 164.4
[M]+ 301.03082 181.2
[M]- 301.03192 181.2
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.