CID 487018

3-amino-4-[(2-bromophenyl)methyl]-5-ethyl-6-methyl-1h-pyridin-2-one

Structural Information

Molecular Formula
C15H17BrN2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC=CC=C2Br)N)C
InChI
InChI=1S/C15H17BrN2O/c1-3-11-9(2)18-15(19)14(17)12(11)8-10-6-4-5-7-13(10)16/h4-7H,3,8,17H2,1-2H3,(H,18,19)
InChIKey
RCWBKIQELJHVBY-UHFFFAOYSA-N
Compound name
3-amino-4-[(2-bromophenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.05243 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05971 165.8
[M+Na]+ 343.04165 177.9
[M-H]- 319.04515 172.6
[M+NH4]+ 338.08625 182.2
[M+K]+ 359.01559 163.8
[M+H-H2O]+ 303.04969 163.9
[M+HCOO]- 365.05063 185.1
[M+CH3COO]- 379.06628 205.5
[M+Na-2H]- 341.02710 169.4
[M]+ 320.05188 183.4
[M]- 320.05298 183.4
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.