CID 978771

332160-77-7

Structural Information

Molecular Formula
C16H14BrN3OS
SMILES
CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC=CC=C2Br)C
InChI
InChI=1S/C16H14BrN3OS/c1-10-7-11(2)19-16(12(10)8-18)22-9-15(21)20-14-6-4-3-5-13(14)17/h3-7H,9H2,1-2H3,(H,20,21)
InChIKey
KYPFQKWRVBYUCA-UHFFFAOYSA-N
Compound name
N-(2-bromophenyl)-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.0041 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.01138 163.0
[M+Na]+ 397.99332 167.5
[M+NH4]+ 393.03792 164.6
[M+K]+ 413.96726 162.4
[M-H]- 373.99682 159.3
[M+Na-2H]- 395.97877 165.7
[M]+ 375.00355 161.3
[M]- 375.00465 161.3
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.