CID 493541

3-[(2-bromophenyl)methoxymethyl]-5-ethyl-6-methyl-1h-pyridin-2-one

Structural Information

Molecular Formula
C16H18BrNO2
SMILES
CCC1=C(NC(=O)C(=C1)COCC2=CC=CC=C2Br)C
InChI
InChI=1S/C16H18BrNO2/c1-3-12-8-14(16(19)18-11(12)2)10-20-9-13-6-4-5-7-15(13)17/h4-8H,3,9-10H2,1-2H3,(H,18,19)
InChIKey
WVZPCCAYUFRHBX-UHFFFAOYSA-N
Compound name
3-[(2-bromophenyl)methoxymethyl]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.0521 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.05938 168.2
[M+Na]+ 358.04132 179.9
[M-H]- 334.04482 175.1
[M+NH4]+ 353.08592 184.3
[M+K]+ 374.01526 166.8
[M+H-H2O]+ 318.04936 166.5
[M+HCOO]- 380.05030 187.2
[M+CH3COO]- 394.06595 205.0
[M+Na-2H]- 356.02677 172.8
[M]+ 335.05155 188.8
[M]- 335.05265 188.8
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.