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 166.4
[M+Na]+ 384.96169 179.5
[M-H]- 360.96519 176.8
[M+NH4]+ 380.00629 183.8
[M+K]+ 400.93563 168.0
[M+H-H2O]+ 344.96973 165.8
[M+HCOO]- 406.97067 184.1
[M+CH3COO]- 420.98632 180.8
[M+Na-2H]- 382.94714 172.9
[M]+ 361.97192 190.4
[M]- 361.97302 190.4
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.