CID 2068306

2-(1,3-benzoxazol-2-ylsulfanyl)-n-(4-bromophenyl)acetamide

Structural Information

Molecular Formula
C15H11BrN2O2S
SMILES
C1=CC=C2C(=C1)N=C(O2)SCC(=O)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C15H11BrN2O2S/c16-10-5-7-11(8-6-10)17-14(19)9-21-15-18-12-3-1-2-4-13(12)20-15/h1-8H,9H2,(H,17,19)
InChIKey
TWBDMXMGSFKCBC-UHFFFAOYSA-N
Compound name
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-bromophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

361.97247 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.97975 162.8
[M+Na]+ 384.96169 167.5
[M+NH4]+ 380.00629 167.8
[M+K]+ 400.93563 166.7
[M-H]- 360.96519 166.7
[M+Na-2H]- 382.94714 167.7
[M]+ 361.97192 163.9
[M]- 361.97302 163.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.