CID 487009

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

Structural Information

Molecular Formula
C16H19BrN2OS
SMILES
CCC1=C(NC(=O)C(=C1SC2=CC(=CC=C2)Br)N(C)C)C
InChI
InChI=1S/C16H19BrN2OS/c1-5-13-10(2)18-16(20)14(19(3)4)15(13)21-12-8-6-7-11(17)9-12/h6-9H,5H2,1-4H3,(H,18,20)
InChIKey
UBJBWZNHLGPKSZ-UHFFFAOYSA-N
Compound name
4-(3-bromophenyl)sulfanyl-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.04016 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.04744 166.3
[M+Na]+ 389.02938 178.7
[M-H]- 365.03288 175.0
[M+NH4]+ 384.07398 182.6
[M+K]+ 405.00332 164.9
[M+H-H2O]+ 349.03742 164.5
[M+HCOO]- 411.03836 181.7
[M+CH3COO]- 425.05401 215.3
[M+Na-2H]- 387.01483 168.4
[M]+ 366.03961 188.6
[M]- 366.04071 188.6
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.