CID 4200593

437644-53-6

Structural Information

Molecular Formula
C14H13BrN2OS
SMILES
CC1=C(C=CC(=C1)NC(=O)CSC2=CC=CC=N2)Br
InChI
InChI=1S/C14H13BrN2OS/c1-10-8-11(5-6-12(10)15)17-13(18)9-19-14-4-2-3-7-16-14/h2-8H,9H2,1H3,(H,17,18)
InChIKey
HUJYEKJOWIIOTC-UHFFFAOYSA-N
Compound name
N-(4-bromo-3-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.9932 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.00048 154.3
[M+Na]+ 358.98242 158.6
[M+NH4]+ 354.02702 159.3
[M+K]+ 374.95636 156.2
[M-H]- 334.98592 157.2
[M+Na-2H]- 356.96787 160.3
[M]+ 335.99265 155.0
[M]- 335.99375 155.0
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.