CID 73755190

Az 12216052

Structural Information

Molecular Formula
C19H22BrNOS
SMILES
CCC(C)C1=CC=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)Br
InChI
InChI=1S/C19H22BrNOS/c1-3-14(2)16-6-10-18(11-7-16)21-19(22)13-23-12-15-4-8-17(20)9-5-15/h4-11,14H,3,12-13H2,1-2H3,(H,21,22)
InChIKey
QKUYZJOTWYRWNF-UHFFFAOYSA-N
Compound name
2-[(4-bromophenyl)methylsulfanyl]-N-(4-butan-2-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

391.06055 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.06783 170.4
[M+Na]+ 414.04977 173.6
[M+NH4]+ 409.09437 175.2
[M+K]+ 430.02371 170.7
[M-H]- 390.05327 173.6
[M+Na-2H]- 412.03522 175.3
[M]+ 391.06000 171.0
[M]- 391.06110 171.0
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

patents stripe