CID 487004

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

Structural Information

Molecular Formula
C14H15BrN2OS
SMILES
CCC1=C(NC(=O)C(=C1SC2=CC(=CC=C2)Br)N)C
InChI
InChI=1S/C14H15BrN2OS/c1-3-11-8(2)17-14(18)12(16)13(11)19-10-6-4-5-9(15)7-10/h4-7H,3,16H2,1-2H3,(H,17,18)
InChIKey
SRTATJHQILBJOY-UHFFFAOYSA-N
Compound name
3-amino-4-(3-bromophenyl)sulfanyl-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.00885 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.01613 158.8
[M+Na]+ 360.99807 171.9
[M-H]- 337.00157 165.9
[M+NH4]+ 356.04267 175.3
[M+K]+ 376.97201 156.8
[M+H-H2O]+ 321.00611 157.6
[M+HCOO]- 383.00705 173.8
[M+CH3COO]- 397.02270 206.1
[M+Na-2H]- 358.98352 161.4
[M]+ 338.00830 178.3
[M]- 338.00940 178.3
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.