CID 1985481

575470-38-1

Structural Information

Molecular Formula
C17H17BrN6OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)C)Br)C3=NC=CN=C3
InChI
InChI=1S/C17H17BrN6OS/c1-3-24-16(14-9-19-6-7-20-14)22-23-17(24)26-10-15(25)21-13-5-4-11(2)8-12(13)18/h4-9H,3,10H2,1-2H3,(H,21,25)
InChIKey
HVNAXIMBVPJOQS-UHFFFAOYSA-N
Compound name
N-(2-bromo-4-methylphenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.0368 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.04408 184.6
[M+Na]+ 455.02602 188.9
[M+NH4]+ 450.07062 186.8
[M+K]+ 470.99996 188.4
[M-H]- 431.02952 186.3
[M+Na-2H]- 453.01147 189.1
[M]+ 432.03625 184.8
[M]- 432.03735 184.8
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.