CID 593620

330943-91-4

Structural Information

Molecular Formula
C11H11BrN4OS
SMILES
CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C11H11BrN4OS/c1-16-7-13-15-11(16)18-6-10(17)14-9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3,(H,14,17)
InChIKey
VYDJOQZFCJLCMB-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.9837 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.99098 157.4
[M+Na]+ 348.97292 160.0
[M+NH4]+ 344.01752 160.9
[M+K]+ 364.94686 160.3
[M-H]- 324.97642 158.0
[M+Na-2H]- 346.95837 161.0
[M]+ 325.98315 157.0
[M]- 325.98425 157.0
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.