CID 853954

N-(2-bromophenyl)-2-[(1-methyl-1h-imidazol-2-yl)sulfanyl]acetamide

Structural Information

Molecular Formula
C12H12BrN3OS
SMILES
CN1C=CN=C1SCC(=O)NC2=CC=CC=C2Br
InChI
InChI=1S/C12H12BrN3OS/c1-16-7-6-14-12(16)18-8-11(17)15-10-5-3-2-4-9(10)13/h2-7H,8H2,1H3,(H,15,17)
InChIKey
HTEILXHBPJFAFW-UHFFFAOYSA-N
Compound name
N-(2-bromophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.98846 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.99574 156.1
[M+Na]+ 347.97768 168.4
[M-H]- 323.98118 163.6
[M+NH4]+ 343.02228 174.0
[M+K]+ 363.95162 155.8
[M+H-H2O]+ 307.98572 154.7
[M+HCOO]- 369.98666 172.9
[M+CH3COO]- 384.00231 202.5
[M+Na-2H]- 345.96313 159.7
[M]+ 324.98791 177.4
[M]- 324.98901 177.4
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.